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Ab Initio Construction of Magnetic Phase Diagrams in Alloys: The Case of Fe1-xMnxPt

TitleAb Initio Construction of Magnetic Phase Diagrams in Alloys: The Case of Fe1-xMnxPt
Publication TypeJournal Article
Year of Publication2015
AuthorsPujari, BS, Larson, P, Antropov, VP, Belashchenko, KD
JournalPhysical Review Letters
Volume115
Pagination057203
Date Published07
Type of ArticleArticle
ISBN Number0031-9007
Accession NumberWOS:000358609800016
Keywords1st principles, electronic-structure, model, order, spin dynamics, systems, temperature
Abstract

system yields the sequence of magnetic phases at T = 0 and the c - T magnetic phase diagram in good agreement with experiment, and a new low-temperature phase is predicted at the Mn-rich end. The importance of non-Heisenberg interactions for the description of the magnetic phase diagram is demonstrated.

DOI10.1103/PhysRevLett.115.057203
Custom 1

Exploratory Theory

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CMI