Search results for "Bulk"
showing 10 items of 286 documents
The influence of hydrostatic pressure on hysteresis phase transition in spin crossover compounds
1999
Abstract The effect of hydrostatic pressure on the transition temperature and the hysteresis widths of first order spin crossover phase transitions has been studied. A decrease as well as an increase of the hysteresis width with increasing pressure was reported in the literature. The increase of width with increasing pressure contradicts the expectation derived from mean field theory. We remeasured the pressure dependence of the temperature hysteresis of the compound [Fe(phy)2](BF4)2 (phy=1, 10-phenanthroline-2-carbaldehydephenylhydrazone). The spin transition temperatures at ambient temperature are T ↑ 1/2 =289±1 K, T ↓ 1/2 =283±1 K . An increase of the hysteresis width of d Δ T 1/2 / d p=…
Optical and structural study of the pressure-induced phase transition of CdWO$_4$
2017
Physical review / B 95(17), 174105 (2017). doi:10.1103/PhysRevB.95.174105
Compressibility and structural behavior of pure and Fe-doped SnO2 nanocrystals
2017
We have performed high-pressure synchrotron X-ray diffraction experiments on nanoparticles of pure tin dioxide (particle size ~30nm) and 10 mol % Fe-doped tin dioxide (particle size ~18nm). The structural behavior of undoped tin dioxide nanoparticles has been studied up to 32 GPa, while the Fe-doped tin dioxide nanoparticles have been studied only up to 19 GPa. We have found that both samples present at ~13 GPa a second-order structural phase transition from the ambient pressure tetragonal rutile-type structure (P42/mnm) to an orthorhombic CaCl2-type structure (space group Pnnm). No phase coexistence was observed for this transition. Additionally, pure SnO2 presents a phase transition to a …
Experimental and theoretical study of dense YBO3 and the influence of non-hydrostaticity.
2021
[EN] YBO3 is used in photonics applications as a host for red phosphors due to its desirable chemical stability, high quantum efficiency and luminescence intensity. Despite its fundamental thermodynamic nature, the isothermal bulk modulus of YBO3 has remained a contentious issue due to a lack of comprehensive experimental and theoretical data and its vibrational modes are far from being understood. Here, we present an experimental-theoretical structural and vibrational study of YBO3. From structural data obtained from synchrotron X-ray diffraction data and ab initio calculations, we have determined the YBO3 bulk modulus, isothermal compressibility tensor and pressure-volume (P-V) equation o…
First-Principles Study on Polymorphs of AgVO3: Assessing to Structural Stabilities and Pressure-Induced Transitions
2017
In this paper, we present a comprehensive theoretical study, based on density-functional theory calculations, and which focuses on the structural and electronic properties of silver vanadium oxide (AgVO3) in the monoclinic [Cm (β-AgVO3), C2/c (α-AgVO3), and Cc], orthorhombic (Amm2), and cubic (Pm3̅m) phases from 0–30 GPa. The structural and electronic properties, the stability of different phases, and the pressure-induced solid–solid phase transitions of AgVO3 have been previously studied. The effects of pressure on the band structures, energy–gap values, density of states, and vibrational frequencies are also studied. Numerical and analytical calculations are conducted to obtain the lattic…
Chandra Observation of the Dipping Source XB 1254-690
2006
We present the results of a 53 ks long Chandra observation of the dipping source XB 1254--690. During the observation neither bursts or dips were observed. From the zero-order image we estimated the precise X-ray coordinates of the source with a 90% uncertainty of 0.6\arcsec. Since the lightcurve did not show any significant variability, we extracted the spectrum corresponding to the whole observation. We confirmed the presence of the \ion{Fe}{xxvi} K$_\alpha$ absorption lines with a larger accuracy with respect to the previous XMM EPIC pn observation. Assuming that the line width were due to a bulk motion or a turbulence associated to the coronal activity, we estimate that the lines were p…
Correlation effects in the total energy, the bulk modulus, and the lattice constant of a transition metal: Combined local-density approximation and d…
2009
We present an accurate implementation of total-energy calculations into the local-density approximation plus dynamical mean-field theory $(\text{LDA}+\text{DMFT})$ method. The electronic structure problem is solved through the full-potential linear muffin-tin orbital and Korringa-Kohn-Rostoker methods with a perturbative solver for the effective impurity suitable for moderately correlated systems. We have tested the method in detail for the case of Ni, and investigated the sensitivity of the results to the computational scheme and to the complete self-consistency. It is demonstrated that the $\text{LDA}+\text{DMFT}$ method can resolve a long-standing controversy between the LDA/generalized …
Chandra observation of the Big Dipper X 1624–490
2006
We present the results of a 73 ks long Chandra observation of the dipping source X 1624-490. During the observation a complex dip lasting 4 hours is observed. We analyse the persistent emission detecting, for the first time in the 1st-order spectra of X 1624-490, an absorption line associated to \ion{Ca}{xx}. We confirm the presence of the \ion{Fe}{xxv} K$_\alpha$ and \ion{Fe}{xxvi} K$_\alpha$ absorption lines with a larger accuracy with respect to a previous XMM observation. Assuming that the line widths are due to a bulk motion or a turbulence associated to the coronal activity, we estimate that the lines have been produced in a photoionized absorber between the coronal radius and the out…
Dynamic of the genetic structure of bacterial and fungal communities at different developmental stages of Medicago truncatula Gaertn. cv. Jemalong li…
2006
International audience; The genetic structure of bacterial and fungal communities was characterized in the rhizosphere of Medicago truncatula Gaertn. cv. Jemalong line J5 at five developmental stages (three vegetative and two reproductive stages), and in three compartments (bulk soil, rhizosphere soil and root tissues). The genetic structure of microbial communities was determined by cultivation-independent methods using directly extracted DNA that was characterized by automated ribosomal intergenic spacer analysis (ARISA). Principal component analyses (PCA) indicate that, for all developmental stages, the genetic structure of microbial communities differed significantly by compartment, wit…
Data quality oriented procedure, for detailed mapping of heavy metals in urban topsoil as an approach to human health risk assessment
2021
Abstract Urban soils' health is important to the community because of the soils' potential use for recreational activities. A data quality-oriented approach to sampling design is proposed for performing soil representative surveys that gives support to defensible and statistically-based decisions. Krowoderski park in Cracow (Poland) was selected as a study case to investigate heavy metals (HMs) accumulation and to assess human risk exposure according to simulated scenarios. Statistical power was computed for optimizing the number of samples to compare HMs concentration against legal upper tolerance levels (LUTL). The samples' location was iteratively designed as random spatial distribution …