0000000000145065

AUTHOR

Andris Anspoks

showing 48 related works from this author

The role of yttrium and titanium during the development of ODS ferritic steels obtained through the STARS route: TEM and XAS study

2018

Abstract Oxide Dispersion Strengthened Ferritic Steels (ODS FS) are candidate materials for structural components in future fusion reactors. Their high strength and creep resistance at elevated temperatures and their good resistance to neutron radiation damage is obtained through extremely fine microstructures containing a high density of nanometric precipitates, generally yttrium and titanium oxides. This work shows transmission electron microscopy (TEM) and extended X-ray absorption fine structure (EXAFS) characterization of Fe-14Cr-2W-0.3Ti-0.24Y ODS FS obtained by the STARS route (Surface Treatment of gas Atomized powder followed by Reactive Synthesis), an alternative method to obtain O…

Nuclear and High Energy PhysicsX-ray absorption spectroscopyMaterials scienceExtended X-ray absorption fine structureMetallurgyOxidechemistry.chemical_element02 engineering and technologyYttrium021001 nanoscience & nanotechnologyMicrostructure01 natural sciencesXANES010305 fluids & plasmasX-ray absorption fine structurechemistry.chemical_compoundNuclear Energy and Engineeringchemistry0103 physical sciencesGeneral Materials Science0210 nano-technologyTitaniumJournal of Nuclear Materials
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Investigation of precipitate in an austenitic ODS steel containing a carbon-rich process control agent

2018

This work has been carried out within the framework of the German Helmholtz Association and has received funding from the topic “Materials Research for the Future Energy Supply”. The work of M. Parish and Rainer Ziegler is gratefully acknowledged. Thanks are also due to the team of the chemical laboratory at the KIT for performing the chemical analysis. The help of the beamline staff at ELETTRA (project 20140052 ) synchrotron radiation facility is acknowledged. We acknowledge support by Deutsche Forschungsgemeinschaft and Open Access Publishing Fund of Karlsruhe Institute of Technology.

Nuclear and High Energy PhysicsMaterials scienceYield (engineering)Materials Science (miscellaneous)Oxidechemistry.chemical_elementProcess control agent02 engineering and technology01 natural sciences010305 fluids & plasmasCarbidechemistry.chemical_compound0103 physical sciences:NATURAL SCIENCES:Physics [Research Subject Categories]Process controlAusteniteMetallurgytechnology industry and agricultureX-ray absorption spectroscopy021001 nanoscience & nanotechnologylcsh:TK9001-9401Oxide dispersion strengthened steelNuclear Energy and Engineeringchemistry8. Economic growthlcsh:Nuclear engineering. Atomic powerAustenitic steelMechanical alloying0210 nano-technologyDispersion (chemistry)CarbonTransmission electron microscopyTitaniumNuclear Materials and Energy
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Extended x-ray absorption fine structure spectroscopy and first-principles study of SnWO4

2014

The local atomic structure in α- and β-SnWO 4 was studied bysynchrotron radiation W L 3 -edge X-ray absorption spectroscopy at 10 and 300 K.Strongly distorted WO 6 octahedra were found in α-SnWO 4 , whereas nearly regularWO 4 tetrahedra were observed in β-SnWO 4 , confirming previous results. Thestructural results obtained were supported by the first-principles calculations,suggesting that the second-order Jahn-Teller effect is responsible for octahedraldistortion.

Materials scienceExtended X-ray absorption fine structureAbsorption spectroscopyOctahedronDistortionTetrahedronSynchrotron radiationddc:530Atomic physicsCondensed Matter PhysicsSpectroscopyMathematical PhysicsAtomic and Molecular Physics and OpticsPhysica Scripta
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Probing NiO nanocrystals by EXAFS spectroscopy

2010

Abstract The structure relaxation in nanocrystalline NiO (nano-NiO, 13 nm crystallite size) has been studied by X-ray absorption spectroscopy at the Ni K-edge at 300 K. Conventional single-scattering analysis of the EXAFS signals from the first two coordination shells showed a lattice volume expansion by about 1% and a contraction of the Ni–O bonds by about 0.5% in nano-NiO compared to microcrystalline NiO. A more sophisticated approach, based on a combination of classical molecular dynamics and ab initio multiple-scattering EXAFS theory, allowed us to interpret both static relaxation and lattice dynamics in nano-NiO.

Absorption spectroscopyExtended X-ray absorption fine structureChemistryNon-blocking I/OAb initio02 engineering and technologyGeneral ChemistryCrystal structure021001 nanoscience & nanotechnologyCondensed Matter Physics01 natural sciencesNanocrystalline materialCondensed Matter::Materials ScienceAb initio quantum chemistry methodsComputational chemistry0103 physical sciencesMaterials ChemistryPhysical chemistryCondensed Matter::Strongly Correlated ElectronsCrystallite010306 general physics0210 nano-technologySolid State Communications
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Kinetic Monte Carlo modeling of Y2O3 nano-cluster formation in radiation resistant matrices

2018

This work has been carried out within the framework of the EUROfusion Consortium and has received funding from the Euratom research and training programme 2014-2018 under grant agreement No 633053. The views and opinions expressed herein do not necessarily reflect those of the European Commission.

Ostwald ripeningNuclear and High Energy PhysicsScale (ratio)02 engineering and technology01 natural sciences7. Clean energysymbols.namesake0103 physical sciencesCluster (physics):NATURAL SCIENCES:Physics [Research Subject Categories]Kinetic Monte CarloAutoregressive integrated moving averageLimit (mathematics)InstrumentationOxide dispersion strengthened (ODS) steels010302 applied physicsPhysicsY2O3 nano-clustersOstwald ripeningRadiusKinetic Monte Carlo021001 nanoscience & nanotechnologyComputational physicsCoarseningsymbolsParticle0210 nano-technologyNuclear Instruments and Methods in Physics Research Section B: Beam Interactions with Materials and Atoms
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Local structure studies of SrTi16O3and SrTi18O3

2014

In this work we report on the local structure of Ti in SrTi 16 O3 (STO16) and SrTi 18 O3 (STO18) investigated in the low temperature range (6‐300K) by extended x-ray absorption fine structure and x-ray absorption near edge structure (XANES) spectroscopy at Ti K-edge and by optical second harmonic generation (SHG). By comparing XANES of STO16 and STO18 we have identified the isotopic effect which produces at T < 100K a noticeable difference in the measured mean square relative displacements (MSRD) of Ti‐O1 bonds: while STO16 follow the expected Einstein-like behavior, for STO18 we have measured an increase of MSRD values with decreasing temperature. This is an indication of an increasing off…

X-ray spectroscopyMaterials scienceAbsorption spectroscopyOctahedronAnalytical chemistrySecond-harmonic generationAtmospheric temperature rangeCondensed Matter PhysicsSpectroscopyAbsorption (electromagnetic radiation)Mathematical PhysicsAtomic and Molecular Physics and OpticsXANESPhysica Scripta
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Origin of Pressure-Induced Metallization in Cu 3 N: An X-ray Absorption Spectroscopy Study

2018

The authors are grateful to Professor Alain Polian for providing the NDAC cell.

X-ray absorption spectroscopyhigh-pressureMaterials scienceExtended X-ray absorption fine structureCu3NAnalytical chemistry02 engineering and technology010402 general chemistry021001 nanoscience & nanotechnologyCondensed Matter Physics01 natural sciencesXANESXANES0104 chemical sciencesElectronic Optical and Magnetic MaterialsEXAFSHigh pressureCu K-edge:NATURAL SCIENCES:Physics [Research Subject Categories]0210 nano-technologyphysica status solidi (b)
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Neural Network Approach for Characterizing Structural Transformations by X-Ray Absorption Fine Structure Spectroscopy

2018

AIF acknowledge support by the US Department of Energy, Office of Basic Energy Sciences under Grant No. DE-FG02 03ER15476. AIF acknowledges support by the Laboratory Directed Research and Development Program through LDRD 18-047 of Brookhaven National Laboratory under U.S. Department of Energy Contract No. DE-SC0012704 for initiating his research in machine learning methods. The help of the beamline staff at ELETTRA (project 20160412) synchrotron radiation facility is acknowledged. RMC-EXAFS and MD-EXAFS simulations were performed on the LASC cluster-type computer at Institute of Solid State Physics of the University of Latvia.

AusteniteWork (thermodynamics)Materials scienceGeneral Physics and Astronomy02 engineering and technology021001 nanoscience & nanotechnologyRadial distribution function01 natural sciencesSpectral lineX-ray absorption fine structureChemical physics0103 physical sciences:NATURAL SCIENCES:Physics [Research Subject Categories]010306 general physics0210 nano-technologySpectroscopyAbsorption (electromagnetic radiation)Curse of dimensionalityPhysical Review Letters
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The Use of X-ray Absorption Spectra for Validation of Classical Force-Field Models

2015

Abstract Extended X-ray absorption fine structure (EXAFS) spectroscopy and molecular dynamics (MD) simulations are two complementary techniques widely used to study the atomic structure of materials. Their combined use, known as the MD-EXAFS approach, allows one to access the structural information, encoded in EXAFS, far beyond the nearest coordination shells and to validate the accuracy of the interaction potential models. In this study we demonstrate the use of the MD-EXAFS method for a validation of several force-field models on an example of the cubic-perovskite SrTiO3 and hexagonal wurtzite-type ZnO crystals.

X-ray absorption spectroscopyExtended X-ray absorption fine structureAbsorption spectroscopyChemistryX-rayAnalytical chemistry02 engineering and technology021001 nanoscience & nanotechnology01 natural sciencesForce field (chemistry)X-ray absorption fine structureComputational physicsMolecular dynamics0103 physical sciencesPhysical and Theoretical Chemistry010306 general physics0210 nano-technologySpectroscopyZeitschrift für Physikalische Chemie
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Thermal disorder and correlation effects in anti-perovskite-type copper nitride

2017

This work has been supported by the Latvian National Research Program IMIS2. The EXAFS experiment has been financed from the European Community's Seventh Framework Programme under grant agreement No. 226716 (Project I-20100098 EC). J.T. also gratefully acknowledges support from the National Science Foundation under the DMREF program Grant No. CHE-1534184.

Materials sciencePolymers and Plasticschemistry.chemical_element02 engineering and technologyReverse Monte CarloCrystal structureNitride01 natural scienceschemistry.chemical_compoundCondensed Matter::Materials ScienceRhenium trioxideddc:670Condensed Matter::Superconductivity0103 physical sciences:NATURAL SCIENCES:Physics [Research Subject Categories]010306 general physicsAnisotropyPerovskite (structure)Reverse Monte Carlo simulationsExtended X-ray absorption fine structureQuantitative Biology::Neurons and CognitionCu3NLattice dynamicsMetals and Alloys021001 nanoscience & nanotechnologyCopper3. Good healthElectronic Optical and Magnetic MaterialsCrystallographyEXAFSchemistryCeramics and Composites0210 nano-technology
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Local structure relaxation in nanocrystalline Ni1−xO thin films

2014

Abstract Non-stoichiometric nickel oxide (Ni 1 − x O) thin films were prepared by DC magnetron sputtering technique in mixed Ar/O 2 atmosphere and studied by synchrotron radiation Ni K-edge x-ray absorption spectroscopy, x-ray diffraction and scanning electron microscopy. The use of advanced modelling technique, combining classical molecular dynamics with ab initio multiple-scattering extended x-ray absorption fine structure calculations, allowed us to describe the structure relaxation and dynamics in nanocrystallites and to estimate their size and the concentration of nickel vacancies.

Materials scienceAbsorption spectroscopyNickel oxideMetals and AlloysAb initioAnalytical chemistrychemistry.chemical_element02 engineering and technologySurfaces and InterfacesSputter deposition021001 nanoscience & nanotechnology01 natural sciencesddc:070Nanocrystalline materialSurfaces Coatings and FilmsElectronic Optical and Magnetic MaterialsNickelchemistry0103 physical sciencesMaterials ChemistryThin film010306 general physics0210 nano-technologyAbsorption (electromagnetic radiation)Thin Solid Films
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Interpretation of the Cu K-edge EXAFS spectra of Cu3N using ab initio molecular dynamics

2020

Financial support provided by ERDF project No. 1.1.1.2/VIAA/l/16/147 (1.1.1.2/16/I/001) under the activity “Post-doctoral research aid” realized at the Institute of Solid State Physics, University of Latvia is greatly acknowledged. This work was supported by a grant from the Swiss National Supercomputing Centre (CSCS) under the project ID s681 .

Materials scienceAbsorption spectroscopychemistry.chemical_elementNitrideCopper nitrideExtended X-ray absorption fine structure (EXAFS)01 natural sciencesMolecular physics030218 nuclear medicine & medical imagingCondensed Matter::Materials Science03 medical and health sciences0302 clinical medicine0103 physical sciencesAtom:NATURAL SCIENCES:Physics [Research Subject Categories]SpectroscopyRadiationQuantitative Biology::Neurons and CognitionExtended X-ray absorption fine structure010308 nuclear & particles physicsAb initio molecular dynamicsCu3NAnharmonicityCopperchemistryK-edge
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Recent progress in high pressure X-ray absorption spectroscopy studies at the ODE beamline

2020

I.J. and A.K. are grateful to the Latvian Council of Science project no. lzp-2018/2-0353 for financial support. The research leading to these results has been partially supported by the project CALIPSOplus under the Grant Agreement No. 730872 from the EU Framework Programme for Research and Innovation HORIZON 2020.

Phase transitionMaterials scienceAbsorption spectroscopyFOS: Physical sciencesReverse Monte Carlo010502 geochemistry & geophysics01 natural sciencesDiamond anvil celllaw.inventionlaw0103 physical sciences:NATURAL SCIENCES:Physics [Research Subject Categories]010306 general physicsComputingMilieux_MISCELLANEOUS0105 earth and related environmental sciences[PHYS]Physics [physics]X-ray absorption spectroscopyCondensed Matter - Materials ScienceMaterials Science (cond-mat.mtrl-sci)Condensed Matter PhysicsSynchrotronNanocrystalline materialXANESEXAFSHigh pressureBeamlinenano-polycrystalline diamond anvil cellAtomic physics
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Effect of cobalt doping on the local structure and dynamics of multiferroic MnWO4and Mn0.7Co0.3WO4

2013

The local atomic structure and dynamics in multiferroic MnWO4 and Mn0.7Co0.3WO4 have been studied by X-ray absorption spectroscopy at the Co(Mn) K-edge and W L3-edge. The analysis of the first coordination shell of metal ions using single-shell Gaussian approximation and regularization-like method allowed us to determine a distortion of Mn(Co)O6 and WO6 octahedra. It was found that the local environment of Co2+ ions in Mn0.7Co0.3WO4 is close to that in CoWO4, whereas the presence of cobalt ions reduces the distortion of MnO6 octahedra in comparison with pure MnWO4.

HistoryMaterials scienceAbsorption spectroscopyCondensed matter physicsMetal ions in aqueous solutionDopingchemistry.chemical_element02 engineering and technology021001 nanoscience & nanotechnology01 natural sciencesComputer Science ApplicationsEducationIonCrystallographyOctahedronchemistryDistortion0103 physical sciencesddc:530Multiferroics010306 general physics0210 nano-technologyCobaltJournal of Physics: Conference Series
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Local structure of copper nitride revealed by EXAFS spectroscopy and a reverse Monte Carlo/evolutionary algorithm approach

2016

Physica scripta 91(5), 054003 (2016). doi:10.1088/0031-8949/91/5/054003

Materials scienceEvolutionary algorithmchemistry.chemical_element02 engineering and technologyReverse Monte CarloNitride010402 general chemistry01 natural sciencesMolecular physics530Condensed Matter::Materials ScienceCondensed Matter::SuperconductivityPhysics::Atomic and Molecular Clustersddc:530SpectroscopyAnisotropyAbsorption (electromagnetic radiation)Mathematical PhysicsExtended X-ray absorption fine structure021001 nanoscience & nanotechnologyCondensed Matter PhysicsCopperAtomic and Molecular Physics and Optics0104 chemical scienceschemistry0210 nano-technology
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Local structure of A-atom in ABO3 perovskites studies by RMC-EXAFS

2020

The measurements of Sr K-edge XAFS were performed under the approval of Proposal No. 97G042 of Photon Factory (KEK) and partially supported by the Research Grants of Hirosaki University. This work was supported by Bruce Ravel providing data for BTO. Boby Joseph acknowledges IISc Bangalore and ICTP Trieste for financial support through the award of the IISc-ICTP fellowship.

Correlation effectsDiffractionX-ray absorption spectroscopyRadiationMaterials scienceExtended X-ray absorption fine structureAbsorption spectroscopy010308 nuclear & particles physicsReverse Monte CarloExtended X-ray absorption fine structure (EXAFS)01 natural sciencesMolecular physicsSpectral line030218 nuclear medicine & medical imagingCondensed Matter::Materials Science03 medical and health sciences0302 clinical medicine0103 physical sciencesAtom:NATURAL SCIENCES:Physics [Research Subject Categories]PerovskitesReverse Monte CarloSpectroscopyX-ray absorption near edge structure (XANES)Radiation Physics and Chemistry
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Dielectric response of BaTiO3 electronic states under AC fields via microsecond time-resolved X-ray absorption spectroscopy

2021

Abstract For the first time, the dielectric response of a BaTiO 3 thin film under an AC electric field is investigated using microsecond time-resolved X-ray absorption spectroscopy at the Ti K-edge in order to clarify correlated contributions of each constituent atom on the electronic states. Intensities of the pre-edge e g peak and shoulder structure just below the main edge increase with an increase in the amplitude of the applied electric field, whereas that of the main peak decreases in an opposite manner. Based on the multiple scattering theory, the increase and decrease of the e g and main peaks are simulated for different Ti off-center displacements. Our results indicate that these s…

010302 applied physicsCondensed Matter - Materials ScienceX-ray absorption spectroscopyMaterials sciencePolymers and PlasticsAbsorption spectroscopyMetals and AlloysMaterials Science (cond-mat.mtrl-sci)FOS: Physical sciences02 engineering and technologyElectronic structure021001 nanoscience & nanotechnology01 natural sciencesFerroelectricityMolecular physicsElectronic Optical and Magnetic MaterialsIonMicrosecondElectric field0103 physical sciencesAtomCeramics and Composites0210 nano-technologyActa Materialia
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Local Structure of Multiferroic MnWO4 and Mn0.7Co0.3WO4 Revealed by the Evolutionary Algorithm

2015

A novel reverse Monte Carlo/evolutionary algorithm scheme was applied to the analysis of the W L3-edge and Mn(Co) K-edges EXAFS spectra from multiferroic MnWO4 and Mn0.7Co0.3WO4. A 3D structural model, consistent with the experimental data, was obtained, and the influence of composition and temperature on the local structure of tungstates is discussed.

Materials scienceExtended X-ray absorption fine structureEvolutionary algorithmWavelet transformMultiferroicsReverse Monte CarloStatistical physicsCondensed Matter PhysicsLocal structureSpectral lineElectronic Optical and Magnetic MaterialsFerroelectrics
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Pressure-induced insulator-to-metal transition in α-SnWO4

2016

In-situ high-pressure W L1 and L3 edges x-ray absorption and mid-infrared spectroscopies complemented by first-principles calculations suggest the existence of pressure- induced insulator-to-metal transition in α-SnWO4 in the range of 5-7 GPa. Its origin is explained by a symmetrization of metal-oxygen octahedra due to a strong interaction of Sn 5s, W 5d and O 2p states along the b-axis direction, leading to a collapse of the band gap.

010302 applied physicsHistoryCondensed matter physicsAbsorption spectroscopyBand gapChemistryStrong interactionchemistry.chemical_element02 engineering and technology021001 nanoscience & nanotechnology01 natural sciencesSpectral lineComputer Science ApplicationsEducationMetalOctahedronvisual_art0103 physical sciencesvisual_art.visual_art_medium0210 nano-technologySpectroscopyTinJournal of Physics: Conference Series
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Local structural investigation of hafnia-zirconia polymorphs in powders and thin films by X-ray absorption spectroscopy

2019

Björn Matthey (Fraunhofer IKTS, Dresden) is acknowledged for providing HfO2 and ZrO2 powders on short notice after DESY’s renowned customs office punished us. Parts of this research were carried out at Petra III at DESY, a member of the Helmholtz Association (HGF). The experiments on single Si:HfO2 thin film samples were performed at the CLAESS beamline at ALBA Synchrotron with the collaboration of ALBA staff. We would like to thank Edmund Welter for assistance (in using beamline P65) and DESY for enabling this research for proposal no. 20160591 and for travel support. T.S. acknowledges the German Research Foundation (DFG) for funding this work in the frame of the project “Inferox” (project…

Ferroelectrics670Materials sciencePolymers and PlasticsAbsorption spectroscopyexafsExtended X-ray absorption fine structure X-ray absorption near edge structure Ferroelectrics Hafnium oxide Zirconium oxide02 engineering and technologydopants01 natural sciencesferroelectric propertieshafnium oxideTetragonal crystal systemformer soviet-unionzirconium oxideddc:6700103 physical sciences:NATURAL SCIENCES:Physics [Research Subject Categories]Zirconium oxideX-ray absorption near edge structureThin filmx-ray absorption near edge structureExtended X-ray absorption fine structureHafnium oxideErweiterte Röntgenabsorptionsfeinstruktur Röntgenabsorptionsstruktur in Randnähe Ferroelektrika Hafniumoxid Zirkoniumoxid010302 applied physicsX-ray absorption spectroscopybiologyExtended X-ray absorption fine structureferroelectricsMetals and Alloyshfo2021001 nanoscience & nanotechnologyHafniabiology.organism_classificationXANESstabilizationdielectricsElectronic Optical and Magnetic Materialsoxygen-ion conductorselectrochemistryextended x-ray absorption fine structureChemical physicsCeramics and Compositesinterface0210 nano-technologyMonoclinic crystal systemActa Materialia
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High-pressure x-ray absorption spectroscopy study of tin tungstates

2015

Room-temperature pressure-dependent (0-25 GPa) x-ray absorption spectroscopy at the W -edges of α-SnWO4 and β-SnWO4 was performed using a dispersive setup and a high-pressure nanodiamond anvil cell. The detailed analysis of experimental x-ray absorption near-edge structure and extended x-ray absorption fine structure data suggests that upon increasing pressure, a displacement of tungsten atoms by about 0.2 A toward the center of the WO6 octahedra occurs in α-SnWO4, whereas the coordination of tungsten atoms changes from tetrahedral to distorted octahedral in β-SnWO4.

X-ray absorption spectroscopyTungsten CompoundsX-ray spectroscopyMaterials scienceAbsorption spectroscopyAnalytical chemistrychemistry.chemical_elementTungstenCondensed Matter PhysicsAtomic and Molecular Physics and OpticschemistrySpectroscopyTinAbsorption (electromagnetic radiation)Mathematical PhysicsPhysica Scripta
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Local structure of nanosized tungstates revealed by evolutionary algorithm

2015

Nanostructured tungstates, such as CoWO4 and CuWO4, are very promising catalytic materials, particularly for photocatalytic oxidation of water. The high catalytic activity of tungstate nanoparticles partially is a result of their extremely small sizes, and, consequently, high surface-to-volume ratio. Therefore their properties depend strongly on the atomic structure, which differ significantly from that of the bulk material. X-ray absorption spectroscopy is a powerful technique to address the challenging problem of the local structure determination in nanomaterials. In order to fully exploit the structural information contained in X-ray absorption spectra, in this study we employ a novel ev…

NanostructureMaterials scienceAbsorption spectroscopyExtended X-ray absorption fine structureNanoparticleSurfaces and InterfacesCondensed Matter PhysicsSurfaces Coatings and FilmsElectronic Optical and Magnetic MaterialsNanomaterialschemistry.chemical_compoundCrystallographyTungstatechemistryTransition metalChemical physicsMaterials ChemistryElectrical and Electronic EngineeringAbsorption (electromagnetic radiation)physica status solidi (a)
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Temperature dependence of the local structure and lattice dynamics of wurtzite-type ZnO

2014

Temperature-dependent (10–300 K) Zn K-edge extended X-ray absorption fine structure (EXAFS) spectra of polycrystalline wurtzitetype ZnO were analyzed using ab initio multiple-scattering theory and taking into account anisotropy of the crystallographic structure and thermal disorder. We employed two different simulation approaches: classical molecular dynamics (MD) and reverse Monte Carlo coupled with an evolutionary algorithm (RMC/EA method). The accuracy of several force-field models, which are commonly used in the MD simulations of bulk and nanostructured ZnO, was tested based on a comparison between the experimental and simulated Zn K-edge EXAFS spectra. It was found that available force…

Materials sciencePolymers and PlasticsExtended X-ray absorption fine structureMetals and AlloysAb initio02 engineering and technologyReverse Monte CarloCrystal structure021001 nanoscience & nanotechnology01 natural sciencesMolecular physicsElectronic Optical and Magnetic MaterialsMolecular dynamicsCrystallographyCondensed Matter::Materials Scienceddc:6700103 physical sciencesCeramics and CompositesWyckoff positions010306 general physics0210 nano-technologyAnisotropyWurtzite crystal structure
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Study of Copper Nitride Thin Film Structure

2016

Abstract X-ray diffraction and x-ray absorption spectroscopy at the Cu K-edge were used to study the atomic structure in copper nitride (Cu3N) thin films. Textured nanocrystalline films are obtained upon dc magnetron sputtering on substrates heated at about 190 °C, whereas amorphous films having strongly disordered structure already in the second coordination shell of copper are deposited in the absence of heating.

X-ray absorption spectroscopyMaterials sciencethin filmPhysicsQC1-999General EngineeringAnalytical chemistryGeneral Physics and Astronomychemistry.chemical_element02 engineering and technologyNitridecopper nitridex-ray absorption spectroscopy010402 general chemistry021001 nanoscience & nanotechnology01 natural sciencesCopper0104 chemical scienceschemistryx-ray diffractionX-ray crystallographyThin film0210 nano-technologyLatvian Journal of Physics and Technical Sciences
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Influence of Pressure and Temperature on X-Ray Induced Photoreduction of Nanocrystalline CuO

2018

The authors are grateful to Prof. Alain Polian for providing NDAC cell. Parts of the present research have been carried out at the ODE beamline at SOLEIL.

Copper oxideMaterials sciencehigh-pressureQC1-999Analytical chemistryGeneral Physics and Astronomyradiolysis02 engineering and technologyx-ray absorption spectroscopy010402 general chemistry01 natural scienceschemistry.chemical_compound:NATURAL SCIENCES:Physics [Research Subject Categories]X-ray absorption spectroscopyPhysicsGeneral EngineeringOdeX-rayX-ray absorption spectroscopy021001 nanoscience & nanotechnologyNanocrystalline materialcopper oxide0104 chemical scienceschemistryBeamlineHigh pressureRadiolysisnanocrystalline0210 nano-technologyLatvian Journal of Physics and Technical Sciences
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Local Structure Studies of Ti for SrTi16O3 and SrTi18O3 by Advanced X-ray Absorption Spectroscopy Data Analysis

2015

Strontium titanate is a model quantum paraelectric in which in the region of dominating quantum statistics the ferroelectric instability is inhibited due to nearly complete compensation of the harmonic contribution into ferroelectric soft mode frequency by the zero-point motion contribution. The enhancement of atomic masses by the substitution of 18O for 16O decreases the zero-point atomic motion and low-T ferroelectricity in SrTi18O3 is realized. In this study we report on the local structure of Ti in SrTi16O3 and SrTi18O3 by Ti K-edge extended x-ray absorption fine structure measurements in temperature range 6 – 300 K.

isotopic effectX-ray absorption spectroscopylocal atomic structureMaterials scienceCondensed matter physicsX-ray absorption spectroscopySoft modesDielectricAtmospheric temperature rangeCondensed Matter PhysicsFerroelectricityAtomic massElectronic Optical and Magnetic Materialsphase transitionsquantum paraelectricchemistry.chemical_compoundCondensed Matter::Materials ScienceNuclear magnetic resonancechemistryStrontium titanateStrontium titanateAbsorption (electromagnetic radiation)
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Pressure-induced structural changes in α-MoO3 probed by X-ray absorption spectroscopy

2019

The authors are grateful to Prof. Alain Polian for providing NDAC cell. The research leading to this result has been supported by the project CALIPSOplus under the Grant Agreement 730872 from the EU Framework Programme for Research and Innovation HORIZON 2020. The work was supported by philanthropist MikroTik and administrated by the University of Latvia Foundation.

X-ray absorption spectroscopyMaterials scienceAbsorption spectroscopyExtended X-ray absorption fine structureAnalytical chemistryOxide02 engineering and technologyReverse Monte Carlo021001 nanoscience & nanotechnology01 natural sciencesSpectral lineXANESchemistry.chemical_compoundchemistry0103 physical sciences:NATURAL SCIENCES:Physics [Research Subject Categories]010306 general physics0210 nano-technologyAbsorption (electromagnetic radiation)
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Effect of Pressure and Temperature on the Local Structure and Lattice Dynamics of Copper(II) Oxide

2016

Abstract Microcrystalline and nanocrystalline (6 nm) CuO were studied in situ by the Cu K-edge X-ray absorption spectroscopy as a function of pressure (0-20 GPa) and temperature (10-300 K). Pressure dependence of X-ray absorption near edge structure (XANES) was interpreted within the full-multiple-scattering formalism based on the relaxed atomic structure determined by ab initio linear combination of atomic orbital (LCAO) calculations. Temperature dependence of the mean-square relative displacement (MSRD) for the four shortest Cu–O distances was obtained from the analysis of extended X-ray absorption fine structure (EXAFS) and described by the correlated Einstein model with the characterist…

Materials scienceExtended X-ray absorption fine structureAbsorption spectroscopyAb initiochemistry.chemical_element02 engineering and technologyPhysics and Astronomy(all)010402 general chemistry021001 nanoscience & nanotechnology01 natural sciencesMolecular physicsCopperXANES0104 chemical sciencesCopper(II) oxideCondensed Matter::Materials Sciencechemistry.chemical_compoundAtomic orbitalchemistryLinear combination of atomic orbitals0210 nano-technologyPhysics Procedia
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ODS steel raw material local structure analysis using X-ray absorption spectroscopy

2015

Oxide dispersion strengthened (ODS) steels are promising materials for fusion power reactors, concentrated solar power plants, jet engines, chemical reactors as well as for hydrogen production from thermolysis of water. In this study we used X-ray absorption spectroscopy at the Fe and Cr K-edges as a tool to get insight into the local structure of ferritic and austenitic ODS steels around Fe and Cr atoms and its transformation during mechanical alloying process. Using the analysis of X-ray absorption near edge structure (XANES) and extended X-ray absorption fine structure (EXAFS) we found that for austenitic samples a transformation of ferritic steel to austenitic steel is detectable after …

AusteniteX-ray absorption spectroscopyChromiumchemistry.chemical_compoundMaterials scienceAbsorption spectroscopyExtended X-ray absorption fine structurechemistryMetallurgyOxidechemistry.chemical_elementAbsorption (electromagnetic radiation)XANESIOP Conference Series: Materials Science and Engineering
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Treatment of disorder effects in X-ray absorption spectra beyond the conventional approach

2020

The contribution of static and thermal disorder is one of the largest challenges for the accurate determination of the atomic structure from the extended X-ray absorption fine structure (EXAFS). Although there are a number of generally accepted approaches to solve this problem, which are widely used in the EXAFS data analysis, they often provide less accurate results when applied to outer coordination shells around the absorbing atom. In this case, the advanced techniques based on the molecular dynamics and reverse Monte Carlo simulations are known to be more appropriate: their strengths and weaknesses are reviewed here.

Materials scienceAbsorption spectroscopyFOS: Physical sciencesReverse Monte CarloMolecular dynamicsExtended X-ray absorption fine structure (EXAFS)01 natural sciences030218 nuclear medicine & medical imaging03 medical and health sciencesMolecular dynamics0302 clinical medicineStatic and thermal disorder0103 physical sciencesAtomThermal:NATURAL SCIENCES:Physics [Research Subject Categories]Reverse Monte CarloAbsorption (electromagnetic radiation)Condensed Matter - Materials ScienceRadiationExtended X-ray absorption fine structure010308 nuclear & particles physicsX-rayMaterials Science (cond-mat.mtrl-sci)Computational physicsX-ray absorption spectrocopyRadiation Physics and Chemistry
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The local atomic structure and thermoelectric properties of Ir-doped ZnO: hybrid DFT calculations and XAS experiments

2021

We greatly acknowledge the financial support via the ERAF Project No. 1.1.1.1/18/A/073. Calculations have been performed under the Project HPC-EUROPA3 (INFRAIA-2016-1-730897), with the support of the EC Research Innovation Action under the H2020 Programme. A. C. gratefully acknowledges the technical support received from KTH-PDC. Institute of Solid State Physics, University of Latvia as the Center of Excellence has received funding from the European Union’s Horizon 2020 Framework Programme H2020-WIDESPREAD-01-2016-2017-TeamingPhase2 under grant agreement No. 739508, project CAMART2

Materials scienceAbsorption spectroscopyExtended X-ray absorption fine structureFermi levelAnalytical chemistrychemistry.chemical_element02 engineering and technologyGeneral ChemistryElectronic structure010402 general chemistry021001 nanoscience & nanotechnology7. Clean energy01 natural sciences0104 chemical sciencessymbols.namesakechemistrySeebeck coefficientThermoelectric effect:NATURAL SCIENCES:Physics [Research Subject Categories]Materials ChemistrysymbolsDensity functional theoryIridium0210 nano-technologyJournal of Materials Chemistry C
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Advanced approach to the local structure reconstruction and theory validation on the example of the W L 3 -edge extended x-ray absorption fine struct…

2018

The authors gratefully acknowledge the assistance of the ELETTRA XAFS beamline staff members during the EXAFS experiment No 20150303. This work has been carried out within the framework of the EUROfusion Consortium and has received funding from the Euratom research and training programme 2014-2018 under grant agreement No 633053. The views and opinions expressed herein do not necessarily reflect those of the European Commission.

Materials sciencechemistry.chemical_elementFOS: Physical sciences02 engineering and technologyEdge (geometry)Tungsten01 natural sciencesLocal structureTungstenCondensed Matter::Materials Science0103 physical sciences:NATURAL SCIENCES:Physics [Research Subject Categories]General Materials Science010306 general physicsReverse Monte Carlo simulationsCondensed Matter - Materials ScienceExtended X-ray absorption fine structureMolecular dynamics simulationsMaterials Science (cond-mat.mtrl-sci)021001 nanoscience & nanotechnologyCondensed Matter PhysicsComputer Science ApplicationsComputational physicsEXAFSchemistryMechanics of MaterialsModeling and Simulation0210 nano-technologyModelling and Simulation in Materials Science and Engineering
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Changes in structure and conduction type upon addition of Ir to ZnO thin films

2017

Zn-Ir-O (Zn/Ir ≈ 1/1) thin films have been reported to be a potential p-type TCO material. It is, however, unknown whether it is possible to achieve p-type conductivity at low Ir content, and how the type and the magnitude of conductivity are affected by the film structure. To investigate the changes in properties taking place at low and moderate Ir content, this study focuses on the structure, electrical and optical properties of ZnO:Ir films with iridium concentration varying between 0.0 and 16.4 at.%. ZnO:Ir thin films were deposited on glass, Si, and Ti substrates by DC reactive magnetron co-sputtering at room temperature. Low Ir content (up to 5.1 at.%) films contain both a nano-crysta…

Materials scienceThin filmsAnalytical chemistrychemistry.chemical_element02 engineering and technologyConductivity010402 general chemistryIridium01 natural sciencesIonCrystallinityElectrical resistivity and conductivityMaterials Chemistry:NATURAL SCIENCES:Physics [Research Subject Categories]IridiumThin filmAmorphous doped ZnOMetals and AlloysSurfaces and Interfaces021001 nanoscience & nanotechnology0104 chemical sciencesSurfaces Coatings and FilmsElectronic Optical and Magnetic MaterialsAmorphous solidchemistryCrystallite0210 nano-technologyReactive DC magnetron co-sputtering
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ODS ferritic steels obtained from gas atomized powders through the STARS processing route: Reactive synthesis as an alternative to mechanical alloying

2018

Authors acknowledge ALBA synchrotron (Spain) for the provision of beamtime on the beam line BL22-CLAESS (Proposal 2016081797). Transmission electron microscopy observations were accomplished at Centro Nacional de Microscopía Electrónica, CNME-UCM. This work has been carried out within the framework of the EUROfusion Consortium and has received funding from the Euratom research and training programme 2014–2018 under grant agreement No 633053. The views and opinions expressed herein do not necessarily reflect those of the European Commission. Financial support from Basque Government through the ELKARTEK ACTIMAT 2016 project is also acknowledged.

Nuclear and High Energy PhysicsMaterials scienceScanning electron microscopeMaterials Science (miscellaneous)Oxidechemistry.chemical_element02 engineering and technology01 natural sciences010305 fluids & plasmasNanoclusterschemistry.chemical_compoundRadiation damageFracture toughnessX-ray photoelectron spectroscopy0103 physical sciences:NATURAL SCIENCES:Physics [Research Subject Categories]Yttria-stabilized zirconiaEngineering & allied operationsMetallurgyYttrium021001 nanoscience & nanotechnologyMicrostructurelcsh:TK9001-9401Fusion reactorsNuclear Energy and Engineeringchemistrylcsh:Nuclear engineering. Atomic powerOxide dispersion strengthened ferritic stainless steels (ODS FS)ddc:6200210 nano-technology
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Analysis of extended x-ray absorption fine structure data from copper tungstate by the reverse Monte Carlo method

2014

The static disorder and lattice dynamics of crystalline materials can be efficiently studied using reverse Monte Carlo simulations of extended x-ray absorption fine structure spectra (EXAFS). In this work we demonstrate the potentiality of this method on an example of copper tungstate CuWO4. The simultaneous analysis of the Cu K and W L3 edges EXAFS spectra allowed us to follow local structure distortion as a function of temperature.

Materials scienceExtended X-ray absorption fine structurechemistry.chemical_elementReverse Monte CarloCondensed Matter PhysicsCopperMolecular physicsAtomic and Molecular Physics and OpticsSpectral lineCondensed Matter::Materials Sciencechemistry.chemical_compoundTungstatechemistrySurface-extended X-ray absorption fine structureDistortionddc:530Absorption (electromagnetic radiation)Mathematical PhysicsPhysica Scripta
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External pressure and composition effects on the atomic and electronic structure of SnWO4

2015

The atomic and electronic structure of tin tungstates, α-SnWO4, α-Sn1.03W0.99O4 and β-SnWO4 ,w as studied by the W L3-edge X-ray absorption spectroscopy and first-principles linear combination of atomic orbital (LCAO) calculations based on the hybrid exchange-correlation density functional (DFT)/ Hartree–Fock (HF) scheme. It was found that the crystal structure of both α-phases is built up of strongly distorted WO6 octahedra, whereas that of β-SnWO4 is composed of nearly regular WO4 tetrahedra. In addition, there are distorted SnO6 octahedra in both α- and β-phases. The metal–oxygen octahedra distortion is explained by the second-order Jahn–Teller effect. The influence of pressure on the st…

Absorption spectroscopyExtended X-ray absorption fine structureRenewable Energy Sustainability and the EnvironmentBand gapChemistryElectronic structureCrystal structureMolecular physicsSurfaces Coatings and FilmsElectronic Optical and Magnetic MaterialsCrystallographyAtomic orbitalOctahedronLinear combination of atomic orbitalsddc:530
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X-ray absorption spectroscopy of Cu-doped $WO_{3}$ films for use inelectrochemical metallization cell memory

2014

Abstract We have performed the first synchrotron radiation X-ray absorption spectroscopy (EXAFS/XANES) study of the local atomic and electronic structure around Cu and W ions in WO 3 /Cu/WO 3 /Si and WO 3 /Cu/Si multilayered structures, aimed for the application in the electrochemical metallization cell memory. The influence of low-temperature annealing at 135 °C has been investigated in details, and a structural model of Cu-doped WO 3 films is proposed.

X-ray absorption spectroscopyMaterials scienceExtended X-ray absorption fine structureAbsorption spectroscopyAnnealing (metallurgy)Analytical chemistrySynchrotron radiationElectronic structureCondensed Matter PhysicsXANESElectronic Optical and Magnetic MaterialsMaterials ChemistryCeramics and Compositesddc:660Thin film
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Local dynamics and phase transition in quantum paraelectric SrTiO3 studied by Ti K-edge x-ray absorption spectroscopy

2016

Strontium titanate is a model quantum paraelectric in which, in the region of dominating quantum statistics, the ferroelectric instability is inhibited due to nearly complete compensation of the harmonic contribution into ferroelectric soft mode frequency by the zero- point motion contribution. The enhancement of atomic masses by the substitution of 16 O with 18O decreases the zero-point atomic motion, and low-T ferroelectricity in SrTi18O3 is realized. In this study we report on the local structure of Ti in SrTi16O3 and SrTi18O3 investigated by Extended X-ray Absorption Fine Structure measurements in the temperature range 6 - 300 K.

HistoryX-ray absorption spectroscopyPhase transitionMaterials scienceCondensed matter physics02 engineering and technologySoft modesDielectric021001 nanoscience & nanotechnology01 natural sciencesFerroelectricityComputer Science ApplicationsEducationchemistry.chemical_compoundCondensed Matter::Materials Sciencechemistry0103 physical sciencesStrontium titanate010306 general physics0210 nano-technologyQuantum statistical mechanicsAbsorption (electromagnetic radiation)Journal of Physics : Conference Series
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High-temperature X-ray absorption spectroscopy study of thermochromic copper molybdate

2019

Financial support provided by Scientific Research Project for Students and Young Researchers Nr. SJZ/2017/5 and SJZ/2018/1 realized at the Institute of Solid State Physics, University of Latvia is greatly acknowledged. The work was also supported by philanthropist MikroTik and administrated by the University of Latvia Foundation . The experiment at the Elettra synchrotron was performed within the project No. 20150303 .

Materials sciencePolymers and PlasticsAbsorption spectroscopyAnalytical chemistrychemistry.chemical_element02 engineering and technologyMolybdate01 natural sciences7. Clean energychemistry.chemical_compound0103 physical sciences:NATURAL SCIENCES:Physics [Research Subject Categories]010302 applied physicsReverse Monte Carlo simulationsX-ray absorption spectroscopyThermochromismExtended X-ray absorption fine structureCuMoO4Metals and AlloysAtmospheric temperature range021001 nanoscience & nanotechnologyCopperXANESXANESElectronic Optical and Magnetic MaterialsEXAFSchemistryMolybdenumCeramics and Composites0210 nano-technologyActa Materialia
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Local structure relaxation in nanosized tungstates

2014

Abstract The atomic structure of nanosized and microcrystalline tungstates MeWO 4 (Me=Co, Ni, Cu, Zn), synthesized by co-precipitation technique, has been studied by x-ray absorption spectroscopy at the W L 3 -edge and Co/Ni/Cu/Zn K-edges, x-ray diffraction, Raman and Fourier transform infrared spectroscopies. The distortion of metal–oxygen octahedra is caused by the electron–lattice coupling and is further enhanced in nanosized tungstates due to formation of the double tungsten–oxygen bonds at the nanoparticle surface.

DiffractionMaterials scienceAbsorption spectroscopyInfraredRelaxation (NMR)NanoparticleGeneral ChemistryCondensed Matter PhysicsCrystallographysymbols.namesakeMicrocrystallineOctahedronddc:540Materials ChemistrysymbolsRaman spectroscopy
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Interpretation of the Ni K-edge EXAFS in nanocrystalline nickel oxide using molecular dynamics simulations

2011

Abstract Analysis of atomic structure at the nanoscale is a challenging task, complicated by relaxation phenomena and thermal disorder. In this work, the x-ray absorption spectroscopy at the Ni K-edge was used to address this problem in nanocrystalline NiO (nano-NiO) at 300 K. The analysis of the first two coordination shells using conventional two-shell single-scattering approximation allowed us to determine the expansion of the average lattice but contraction of the Ni―O bonds in the first coordination shell in nano-NiO in comparison with the bulk nickel oxide. The EXAFS signal generated within the first six coordination shells (up to ~ 6.5 A) was successfully interpreted using classical …

Absorption spectroscopyExtended X-ray absorption fine structureChemistryNickel oxideAb initioAnalytical chemistry02 engineering and technology021001 nanoscience & nanotechnologyCondensed Matter Physics01 natural sciencesNanocrystalline materialElectronic Optical and Magnetic MaterialsCondensed Matter::Materials ScienceMolecular dynamicsK-edgeChemical physicsSurface-extended X-ray absorption fine structure0103 physical sciencesMaterials ChemistryCeramics and Compositesddc:660010306 general physics0210 nano-technology
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Local structure and dynamics of wurtzite‐type ZnO from simulation‐based EXAFS analysis

2014

Conventional methods of EXAFS data analysis are often limited to the nearest coordination shells of the absorbing atom due to the difficulties in accurate accounting for the so-called multiple-scattering effects. Besides, it is often difficult to resolve the non-equivalent groups of atoms in a single coordination shell due to strong correlation between structural parameters. In this study we overcome these problems by applying two different simulation-based methods, i.e., classical molecular dynamics (MD) and reverse Monte with evolutionary algorithm (EA), to the analysis of the Zn K-edge EXAFS data for wurtzite-type bulk ZnO. The RMC/EA-EXAFS method allowed us to separate the contributions…

Molecular dynamicsCrystallographyNanostructureExtended X-ray absorption fine structureChemical physicsChemistryThermalAtomShell (structure)ddc:530Reverse Monte CarloCondensed Matter PhysicsWurtzite crystal structurephysica status solidi c
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The influence of Zn$^{2+}$ ions on the local structure and thermochromic properties of Cu$_{1-x}$Zn$_x$MoO$_4$ solid solutions

2021

I. P., A. K. and A. K. would like to thank the support of the Latvian Council of Science project No. lzp-2019/1-0071. I.P. acknowledges the L‘OREAL Baltic “For Women In Science” Program with the support of the Latvian National Commission for UNESCO and the Latvian Academy of Sciences. The experiment at the PETRA III synchrotron was performed within project No. I-20190277 EC. The synchrotron experiments have been supported by the project CALIPSOplus under the Grant Agreement 730872 from the EU Framework Programme for Research and Innovation HORIZON 2020. Institute of Solid State Physics, University of Latvia as the Center of Excellence has received funding from the European Union’s Horizon 2…

Materials scienceAbsorption spectroscopyMetal ions in aqueous solutionchemistry.chemical_elementFOS: Physical sciences02 engineering and technologyZinc010402 general chemistry01 natural sciences7. Clean energyMaterials Chemistry:NATURAL SCIENCES:Physics [Research Subject Categories]General Materials ScienceCondensed Matter - Materials ScienceThermochromismExtended X-ray absorption fine structureMaterials Science (cond-mat.mtrl-sci)021001 nanoscience & nanotechnologyCopperXANES0104 chemical sciencesCrystallographyEXAFSOctahedronchemistryMechanics of MaterialsMolybdenumCu1-xZnxMoO4ddc:6200210 nano-technologySolid solutionsSolid solution
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Atomic structure relaxation in nanocrystalline NiO studied by EXAFS spectroscopy: Role of nickel vacancies

2012

Nanocrystalline NiO samples have been studied using the Ni K-edge extended x-ray absorption fine structure (EXAFS) spectroscopy and recently developed modeling technique, combining classical molecular dynamics with ab initio multiple-scattering EXAFS calculations (MD-EXAFS). Conventional analysis of the EXAFS signals from the first two coordination shells of nickel revealed that (i) the second shell average distance R(Ni–Ni2) expands in nanocrystalline NiO compared to microcrystalline NiO, in agreement with overall unit cell volume expansion observed by x-ray diffraction; (ii) on the contrary, the first shell average distance R(Ni–O1) in nanocrystalline NiO shrinks compared to microcrystall…

Materials scienceExtended X-ray absorption fine structureNon-blocking I/OAnalytical chemistryCondensed Matter PhysicsNanocrystalline materialElectronic Optical and Magnetic Materialssymbols.namesakeMicrocrystallineNanocrystalVacancy defectsymbolsddc:530SpectroscopyDebye modelPhysical Review B
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Revealing the local structure of CuMo1−xWxO4 solid solutions by multi-edge X-ray absorption spectroscopy

2022

I.P. and A.K. would like to thank the support of the Latvian Council of Science project No. lzp-2019/1-0071. I.P. acknowledges the L’OREAL Baltic “For Women In Science Program” with the support of the Latvian National Commission for UNESCO and the Latvian Academy of Sciences. The experiment at the Elettra synchrotron was performed within project No. 20150303. Institute of Solid State Physics, University of Latvia as the Center of Excellence has received funding from the European Union’s Horizon 2020 Framework Programme H2020-WIDESPREAD-01-2016-2017-TeamingPhase2 under grant agreement No. 739508, project CAMART2.

solid solutionsX-ray absorption spectroscopy:NATURAL SCIENCES::Physics [Research Subject Categories]CuMo1−xWxO4reverse Monte Carlo
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Dielectric response of BaTiO electronic states under AC fields via microsecond time-resolved X-ray absorption spectroscopy

2021

This research was performed under the approval of the Photon Factory Program Advisory Committee (PF-PAC; Contract Numbers 2015G580, 2017G587, and 2019G614) and was financially supported by JSPS KAKENHI Grant Numbers 18H01153 , 19H02426 , and 18K19126 . The experiment for measuring spectra in Fig. 6 (b) was performed on beamline BM26A (proposal MA 2731) at the European Synchrotron Radiation Facility (ESRF), Grenoble, France. We are grateful to Local Contact at the ESRF for providing assistance in using beamline BM26A. Institute of Solid State Physics, University of Latvia as the Center of Excellence has received funding from the European Union’s Horizon 2020 Framework Programme H2020-WIDESPRE…

Electronic structureFerroelectricity:NATURAL SCIENCES:Physics [Research Subject Categories]Electrical propertiesExternal electric fieldX-ray absorption spectroscopy
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Local Structure of Multiferroic $\mathrm{MnWO_4}$ and $\mathrm{Mn_{ 0.7} Co_{0.3}WO_4}$ Revealed by the Evolutionary Algorithm

2015

A novel reverse Monte Carlo/evolutionary algorithm scheme was applied to the analysis of the W L3-edge and Mn(Co) K-edges EXAFS spectra from multiferroic MnWO4 and Mn0.7Co0.3WO4. A 3D structural model, consistent with the experimental data, was obtained, and the influence of composition and temperature on the local structure of tungstates is discussed.

ddc:530
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Lokālās struktūras relaksācijas pētījumi nanosavienojumos

2014

Elektroniskā versija nesatur pielikumus

Fizika materiālzinātne matemātika un statistikaFizikaFizika astronomija un mehānika
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