Abstract
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 Å. 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.
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Ahmad, R., Mehmood, N. Investigation of Half-Heusler Compounds RhCrZ (Z = P, As, Sb, Sn): A First Principle Study. J Supercond Nov Magn 31, 2637–2645 (2018). https://doi.org/10.1007/s10948-017-4472-z
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DOI: https://doi.org/10.1007/s10948-017-4472-z