Structural, electronic, mechanical and phonon properties of half-Heusler GaNiSb, InNiSb and InPdSb alloys via first-principles calculations

Rita John; Anubama Rajendran

doi:10.1016/j.cocom.2022.e00779

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Structural, electronic, mechanical and phonon properties of half-Heusler GaNiSb, InNiSb and InPdSb alloys via first-principles calculations

Rita John Anubama Rajendran

Year: 2022 Journal: Computational Condensed Matter Vol: 35 Pages: e00779-e00779 Publisher: Elsevier BV

DOI: 10.1016/j.cocom.2022.e00779

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Keywords:

WIEN2k Density functional theory Materials science Condensed matter physics Plane wave Ground state Phonon Electronic structure Density of states Local-density approximation Computational chemistry Chemistry Physics Atomic physics Quantum mechanics

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Heusler alloys: electronic and magnetic properties

Physical Sciences → Materials Science → Electronic, Optical and Magnetic Materials

Intermetallics and Advanced Alloy Properties

Physical Sciences → Engineering → Mechanical Engineering

MXene and MAX Phase Materials

Physical Sciences → Materials Science → Materials Chemistry

Structural, electronic, mechanical and phonon properties of half-Heusler GaNiSb, InNiSb and InPdSb alloys via first-principles calculations

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