Search results for "TICE"
showing 10 items of 8297 documents
A half-metallic half-Heusler alloy having the largest atomic-like magnetic moment at optimized lattice constant
2016
For half-Heusler alloys, the general formula is XYZ, where X can be a transition or alkali metal element, Y is another transition metal element, typically Mn or Cr, and Z is a group IV element or a pnicitide. The atomic arrangements within a unit-cell show three configurations. Before this study, most of the predictions of half-metallic properties of half-Heusler alloys at the lattice constants differing from their optimized lattice constant. Based on the electropositivity of X and electronegativity of Z for half-Heusler alloys, we found that one of the configurations of LiCrS exhibits half-metallic properties at its optimized lattice constant of 5.803Å, and has the maximum atomic-like magn…
Intrinsic nanostructures on the (001) surface of strontium titanate at low temperatures
2020
Atomically smooth (001) surfaces of SrTiO3 cut from the high-quality single crystals at two different miscut angles 0.9 and 7.0 deg between the real flat surfaces and crystallographic planes (001) were analyzed by means of the reflection high energy electron diffraction (RHEED) method from the room down to liquid helium temperatures. The diffraction patterns typical of the RHEED geometry close to ideal for a small miscut angle and those exhibiting distinct features of the specific periodicity associated with regular steps, which form due to the larger miscut angle, are presented. The surface symmetry and energetics were shown to impose differences in lattice parameters in parallel to a surf…
Ab Initio Modeling of Y and O Solute Atom Interaction in Small Clusters within the bcc Iron Lattice
2018
This work has been carried out within the framework of the EUROfusion Consortium and has received funding from the Euroatom research and training programme 2014–2018 under grant agreement No 633053. The authors are indebted to A. Möslang and P. V. Vladimirov for stimulating discussions. The views and opinions expressed herein do not necessarily reflect those of the European Commission.
Thermal expansion and polarization of (1-x)PNN-xPT solid solutions
2019
The paper presents the results of detailed studies of the thermal expansion of (1-x)PbNi1/3Nb2/3O3-xPbTiO3 solid solutions with x = 0-0.8. The anomalous and lattice contributions to deformation and...
Half-Heusler superlattices as model systems for nanostructured thermoelectrics
2015
The efficiency of thermoelectric materials is directly related to the dimensionless figure of merit , therefore, one of the means to improve ZT is to reduce the thermal conductivity. Our research focuses on half-Heusler superlattices (SLs) and the relationship between the SL period and the thermal conductivity. The cross-plane thermal conductivity of DC-sputtered TiNiSn/HfNiSn SLs was measured by the 3 method at room temperature and a clear reduction of was achieved for all SL periods, in particular for periods smaller than 20 nm. Moreover, the thermal conductivities of TiNiSn and HfNiSn single films display reduced values compared to the literature data for bulk materials. Furthermore, we …
Ptychographic imaging and micromagnetic modeling of thermal melting of nanoscale magnetic domains in antidot lattices
2020
CA extern Antidot lattices are potential candidates to act as bit patterned media for data storage as they are able to trap nanoscale magnetic domains between two adjacent holes. Here, we demonstrate the combination of micromagnetic modeling and x-ray microscopy. Detailed simulation of these systems can only be achieved by micromagnetic modeling that takes thermal effects into account. For this purpose, a Landau-Lifshitz-Bloch approach is used here. The calculated melting of magnetic domains within the antidot lattice is reproduced experimentally by x-ray microscopy. Furthermore, we compare conventional scanning transmission x-ray microscopy with resolution enhanced ptychography. Hence, we …
How activator ion concentration affects spectroscopic properties on Ba4Y3F17: Er3+, Yb3+, a new perspective up-conversion material
2018
Abstract Ba4Y3F17 with Er3+ and Yb3+, a promising material for up-conversion luminescence, was synthesized. Excellent isomorphic capacity was detected. Low-temperature measurements show that erbium ions are incorporated in multiple lattice positions, which is inconsistent with the current model of Ba4Y3F17 crystal lattice structure. Activator ion concentration has a different impact on 4S3/2 and 4F9/2, states (for the green and red luminescence, respectively) depopulation. Energy transfer from Er3+ 4S3/2 state to Yb3+ is observed even at low temperature (15 K) while Er-Er cross-relaxation is observed from 120 K and above. Yb3+ concentration has a great impact to red-to-green up-conversion l…
Mechanical properties of macroscopic magnetocrystals
2019
Abstract We studied experimentally and by numerical simulations the mechanical response of arrays of macroscopic magnetic spheres when an external stress is applied. First, the tensile strength of single chains and ribbons was analyzed. Then, simple cubic (cP), hexagonal (Hx) and hybrid (cP-Hx) structures, called here magnetocrystals , were assembled and subjected to tensile stress, bending stress and torsion until failure was reached. Atomistic crystalline structures are isotropic, but in the case of magnetocrystals, even when geometric isotropy is obeyed, dipolar magnetic interactions introduce a physical anisotropy which modifies, in a non-usual manner, the structures response to the kin…
A Computational Study on Crack Propagation in Bio-Inspired Lattices
2018
A computational preliminary study on the fracture behaviour of two kinds of finite-size bio-inspired lattice configurations is presented. The study draws inspiration from recent investigations aimed at increasing the fracture energy of some materials through small modifications of their microstructure. Nature provides several examples of strategies used to delay or arrest damage initiation and crack propagation. Striking examples are provided by the micro-architecture of several kinds of wood. In this study, the effects on crack propagations induced by architectural alterations inspired by the microstructure of wood are computationally investigated. In an age in which tight control of the m…
Improve the dielectric properties of PrSrNi0.8Mn0.2O4 compounds by longer mechanical milling
2018
Abstract Structural and dielectric properties of PrSrNi 0.8 Mn 0.2 O 4 ceramics elaborated by a rapid method combining mechanical milling and heat treatment were studied for the first time. The raw materials are milled at different times ( t mil = 0, 5, 10, 20 and 30 h) and annealed at 1300 °C for 8 h to produce a revealed PrSrNi 0.8 Mn 0.2 O 4 single phase, exhibiting tetragonal structure with space group I 4/ mmm . This result was confirmed by using the TEM/ED pattern for sample milled at 30 h using the [001] orientation. The corresponding lattice images show a well-ordered compound, indicating the absence of stacking faults and the growth of the crystallites. Giant dielectric response …