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Fermi surfaces and phase stability of Ba(Fe1-x M-x)(2)As-2 (M = Co,Ni,Cu,Zn)

TitleFermi surfaces and phase stability of Ba(Fe1-x M-x)(2)As-2 (M = Co,Ni,Cu,Zn)
Publication TypeJournal Article
Year of Publication2014
AuthorsKhan, SN, Alam, A, Johnson, DD
JournalPhysical Review B
Date Published05
Type of ArticleArticle
ISBN Number1098-0121
Accession NumberWOS:000340628100003
Keywordscommensurate, cr, electronic-structure, incommensurate, magnetism, photoemission, random alloys, superconductivity, system, waves

, Zn} in tetragonal (I4/mmm) and orthorhombic (Fmmm) structures in nonmagnetic, antiferromagnetic, and paramagnetic (disordered local moment) states. We explain changes to the phase stability (Delta E-f) and Fermi surfaces (and nesting) due to chemical and magnetic disorder. We compare our results to observed/assessed properties and contrast alloy theory with the results expected from the rigid-band model. With alloying, the DOS changes from common band (Co, Ni) to split band (Cu, Zn), which dictates Delta E-f and can overwhelm FS-nesting instabilities, as for the Cu and Zn cases.

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