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Electronic structure, magnetism, and antisite disorder in CoFeCrGe and CoMnCrAl quaternary Heusler alloys

TitleElectronic structure, magnetism, and antisite disorder in CoFeCrGe and CoMnCrAl quaternary Heusler alloys
Publication TypeJournal Article
Year of Publication2015
Authors,, Venkateswara, Y, Gupta, S, Varma, MR, Singh, P, Suresh, KG, Alam, A
JournalPhysical Review B
Volume92
Pagination224413
Date Published12
Type of ArticleArticle
ISBN Number1098-0121
Accession NumberWOS:000366085900004
Keywordsbasis-set, co2fesi/gaas(001) hybrid structures, metals, total-energy calculations, wave
Abstract

l results and also obey the Slater-Pauling rule, a prerequisite for half metallicity. A striking difference between the two systems is their structure; CFCG crystallizes in fully ordered Y-type structure while CMCA has L2(1) disordered structure. The antisite disorder adds a somewhat unique property to the second compound, which arises due to the probabilistic mutual exchange of Al positions with Cr/Mn and such an effect is possibly expected due to comparable electronegativities of Al and Cr/Mn. Ab initio simulation predicted a unique transition from half metallic ferromagnet to metallic antiferromagnet beyond a critical excess concentration of Al in the alloy.

DOI10.1103/PhysRevB.92.224413
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