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Author Amudhavalli, A. ♦ Rajeswarapalanichamy, R.
Source United States Department of Energy Office of Scientific and Technical Information
Content type Text
Language English
Subject Keyword CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND SUPERFLUIDITY ♦ ANTIMONY COMPOUNDS ♦ ARSENIC COMPOUNDS ♦ BERYLLIUM COMPOUNDS ♦ CRYSTAL STRUCTURE ♦ CRYSTAL-PHASE TRANSFORMATIONS ♦ CRYSTALS ♦ ELECTRONIC STRUCTURE ♦ HEUSLER ALLOYS ♦ LITHIUM COMPOUNDS ♦ MECHANICAL PROPERTIES ♦ OPTICAL PROPERTIES ♦ PHASE TRANSFORMATIONS ♦ SEMICONDUCTOR MATERIALS ♦ STABILITY ♦ TERNARY ALLOY SYSTEMS ♦ ZINC ♦ ZINC SULFIDES
Abstract Ab initio calculations are performed to investigate the structural stability, electronic structure, mechanical properties and optical properties of half Heusler alloys (LiBeAs and LiBeSb) for three different phases of zinc blende crystal structure. Among the considered phases, α- phase is found to be the most stable phase for these alloys at normal pressure. A pressure induced structural phase transition from α-phase to β- phase is observed for LiBeAs. The electronic structure reveals that these alloys are semiconductors. The optical properties confirm that these alloys are semiconductor in nature.
ISSN 0094243X
Educational Use Research
Learning Resource Type Article
Publisher Date 2016-05-23
Publisher Place United States
Volume Number 1731
Issue Number 1


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