A first principle study of the effect of uniaxial strain on Half-Heusler NiCrZ (Z=P, Si) semimetal

This paper studies the effect of uniaxial (u-) strain on half-metallic (HM) properties of NiCrP and NiCrSi semimetal Alloy. The Study was done by First Principle Density Functional Theory (DFT) module by using Quantum Espresso Software Package. The half-metallic and ferromagnetic (FM) characteristic...

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Hauptverfasser: Singh, Aniket, Puri, Nitin K.
Format: Tagungsbericht
Sprache:eng
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Zusammenfassung:This paper studies the effect of uniaxial (u-) strain on half-metallic (HM) properties of NiCrP and NiCrSi semimetal Alloy. The Study was done by First Principle Density Functional Theory (DFT) module by using Quantum Espresso Software Package. The half-metallic and ferromagnetic (FM) characteristic of NiCrZ maintain in wide range of uniaxial strain. The study shows that NiCrZ is very robust nature in the presence of u- strain. We expect that NiCrZ is a more reliable material for spintronic devices.
ISSN:0094-243X
1551-7616
DOI:10.1063/5.0073474