Electronic structure, noncollinear magnetism, and x-ray magnetic circular dichroism in the Mn3ZnC perovskite

TitleElectronic structure, noncollinear magnetism, and x-ray magnetic circular dichroism in the Mn3ZnC perovskite
Publication TypeJournal Article
Year of Publication2007
AuthorsAntonov VN, Harmon BN, Yaresko AN, Shpak AP
Journal TitlePhysical Review B
Volume75
Pages165114
Date PublishedApr
Type of ArticleArticle
ISBN Number1098-0121
Accession NumberISI:000246075900024
KeywordsCOMPOUND MN3GAC, manganese, MN3SNC, TRANSITION-TEMPERATURES, XMCD
Abstract

Mn3ZnC possesses a magnetic phase transition at T-t=233 K from a ferromagnetic phase to a ferrimagnetic one with a noncollinear magnetic structure. The transition is accompanied by a structural change from cubic to tetragonal. The experimentally measured x-ray magnetic circular dichroism (XMCD) at the Mn K edge shows a drastic change at the magnetic phase transition, which is associated with the appearance of the noncollinear magnetic structure. The electronic structure and XMCD spectra of the Mn3ZnC were investigated theoretically from first principles, using the fully relativistic Dirac linear muffin-tin orbital band-structure method for both the high-temperature cubic and low-temperature tetragonal noncollinear phases. Densities of valence states, spin, and orbital magnetic moments are analyzed and discussed. The origin of the XMCD spectra in the Mn3ZnC compound is examined. The calculated results are compared with the experimental data.

DOI10.1103/PhysRevB.75.165114
Alternate JournalPhys. Rev. B