| Literature DB >> 33529935 |
Sadia Tabassam1, Ali H Reshak2, G Murtaza3, S Muhammad1, A Laref4, Masood Yousaf5, Am Mustafa Al Bakri6, J Bila7.
Abstract
Full Heuslers alloys are a fascinating class of materials leading to many technological applications. These have been studied widely under ambient conditions. However, less attention been paid to study them under the effect of compression and strain. Here in this work Co2YZ (Y= Cr, Nb, Ta, V and Z = Al, Ga) Heusler alloys have been studied comprehensively under pressure variations. Calculated lattice constants are in reasonable agreement with the available data. It is determined that lattice constant deceases with the increase in tensile stress and increases by increasing pressure in reverse direction. Band profiles reveals the half metallic nature of the studied compounds. The bond length decreases while band gap increases in compressive strain. The compounds are found to be reflective in visible region, as characteristics of the metals. The magnetic moments reveal the half-mettalic ferromagnetic nature of the compounds.Entities:
Keywords: Ab-initio; Band structure; Full-Heuslers; Optical properties; Pressure effects
Year: 2021 PMID: 33529935 DOI: 10.1016/j.jmgm.2021.107841
Source DB: PubMed Journal: J Mol Graph Model ISSN: 1093-3263 Impact factor: 2.518