Investigation of Half-Heusler Compounds RhCrZ (Z = P, As, Sb, Sn): A First Principle Study

被引：8

作者：

Ahmad, Rashid ^{[1
]}

Mehmood, Nasir ^{[1
]}

机构：

[1] Kohat Univ Sci & Technol, Dept Phys, Kohat 26000, Khyber Pakhtunk, Pakistan

来源：

JOURNAL OF SUPERCONDUCTIVITY AND NOVEL MAGNETISM | 2018年 / 31卷 / 08期

关键词：

Half-Heusler compounds; Half-metallic compounds; Optical properties; Ferromagnetic materials; GENERALIZED GRADIENT APPROXIMATION;

D O I：

10.1007/s10948-017-4472-z

中图分类号：

O59 [应用物理学];

学科分类号：

摘要：

We have investigated the half-Heusler compounds RhCrZ (Z = P, As, Sb, Sn). The density functional theory (DFT) framework is employed for the study. We have found that structurally these compounds are stable with lattice constants less than 6.00 . Elastically, all the compounds are of ductile nature and anisotropic. We have computed their band gaps in both the spin-down and spin-up channels. It is revealed that they have spin-up channels conducting and spin-down channels having a band gap. Furthermore, investigation of optical properties shows that at lower energies compounds are more active.

引用

收藏

页码：2637 / 2645

页数：9

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