Literature DB >> 33529935

Co2YZ (Y= Cr, Nb, Ta, V and Z= Al, Ga) Heusler alloys under the effect of pressure and strain.

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.
Copyright © 2021 Elsevier Inc. All rights reserved.

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


  1 in total

1.  Assessment of Various Density Functional Theory Methods for Finding Accurate Structures of Actinide Complexes.

Authors:  Youngjin Kwon; Hee-Kyung Kim; Keunhong Jeong
Journal:  Molecules       Date:  2022-02-23       Impact factor: 4.411

  1 in total

北京卡尤迪生物科技股份有限公司 © 2022-2023.