Heusler alloys: Past, properties, new alloys, and prospects
Heusler alloys, discovered serendipitously at the beginning of the twentieth century, have
emerged in the twenty-first century as exciting materials for numerous remarkable functional …
emerged in the twenty-first century as exciting materials for numerous remarkable functional …
Review of high-throughput computational design of Heusler alloys
As one large family of intermetallic compounds, Heusler compounds offer a wide playground
for novel materials design because of their wide range of compositions and tunable …
for novel materials design because of their wide range of compositions and tunable …
High-throughput screening for spin-gapless semiconductors in quaternary Heusler compounds
Based on high-throughput density functional theory calculations, we performed a systematic
screening for spin-gapless semiconductors (SGSs) in quaternary Heusler alloys XX′ YZ (X …
screening for spin-gapless semiconductors (SGSs) in quaternary Heusler alloys XX′ YZ (X …
[HTML][HTML] Network analysis of synthesizable materials discovery
Assessing the synthesizability of inorganic materials is a grand challenge for accelerating
their discovery using computations. Synthesis of a material is a complex process that …
their discovery using computations. Synthesis of a material is a complex process that …
Magnetic Weyl and quadratic nodal lines in inverse-Heusler-based fully compensated ferrimagnetic half-metals
C Xie, H Yuan, Z Zhang, X Wang - Physical Review Materials, 2022 - APS
Heusler alloys, a class of easily prepared, highly ordered intermetallic compounds, were first
reported in 1903. Since then, Heusler alloys have presented various physical phenomena in …
reported in 1903. Since then, Heusler alloys have presented various physical phenomena in …
High-throughput design of Co-based magnetic Heusler compounds
High-throughput (HTP) density functional theory (DFT) calculations are carried out on Co-
based Heusler alloys, ie, Co 2 YZ and X 2 CoZ (where X, Y, and Z range from lithium (Li) to …
based Heusler alloys, ie, Co 2 YZ and X 2 CoZ (where X, Y, and Z range from lithium (Li) to …
[HTML][HTML] Designing chemical analogs to PbTe with intrinsic high band degeneracy and low lattice thermal conductivity
High-efficiency thermoelectric materials require simultaneously high power factors and low
thermal conductivities. Aligning band extrema to achieve high band degeneracy, as realized …
thermal conductivities. Aligning band extrema to achieve high band degeneracy, as realized …
Computational discovery of stable heteroanionic oxychalcogenides ABXO (A, B= metals; X= S, Se, and Te) and their potential applications
Heteroanionic compounds that contain more than one type of anion have many unique and
attractive properties, which make them desirable for numerous applications. However …
attractive properties, which make them desirable for numerous applications. However …
[HTML][HTML] 171 Scandium-based full Heusler compounds: A comprehensive study of competition between XA and L21 atomic ordering
Y Han, Z Chen, M Kuang, Z Liu, X Wang, X Wang - Results in Physics, 2019 - Elsevier
The site-preference rule (SPR), which is widely used to design and study the properties of
full-Heusler alloys X 2 YZ, is applied to determine the positions of different transition-metal …
full-Heusler alloys X 2 YZ, is applied to determine the positions of different transition-metal …
Computational Prediction of Structural, Electronic, Elastic, and Thermoelectric Properties of FeVX (X = As, P) Half-Heusler Compounds
N Chami, O Arbouche, S Chibani… - Journal of Electronic …, 2020 - Springer
Structural, electronic, elastic, and transport properties of FeV X (X= As, P) half-Heusler (HH)
compounds have been calculated using density functional theory (DFT). The generalized …
compounds have been calculated using density functional theory (DFT). The generalized …