Half-metallic ferrimagnetism in zincblende Mn-doped transition metal chalcogenides

Kohji Nakamura, Tomonori Ito, Arthur J Freeman

Research output: Contribution to journalArticle

15 Citations (Scopus)

Abstract

First principles full-potential linearized augmented plane wave (FLAPW) calculations and Monte Carlo simulations were performed to determine the magnetic structures in Mn-doped transition metal chalcogenides, Cr1-x Mnx Se and Cr1-x Mnx Te, with the zincblende structure. A ferrimagnetic structure with excellent half-metallicity appears in the Mn 0.25 composition, where the Mn moments tend to align in an opposite orientation to the Cr moments so as to retain the half-metallicity, and the half-metallic gap is enhanced. Here, the Cr0.75 Mn0.25 Se alloy is predicted as a promising candidate as a high Curie temperature half-metallic ferrimagnet, with the tendency toward an atomic ordering of Cr and Mn atoms, that may be feasible in epitaxial growth that is thick enough for spintronic applications.

Original languageEnglish
JournalPhysical Review B - Condensed Matter and Materials Physics
Volume72
Issue number6
DOIs
Publication statusPublished - Aug 1 2005

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Ferrimagnetism
ferrimagnetism
Chalcogenides
Magnetoelectronics
chalcogenides
Magnetic structure
zincblende
Curie temperature
Epitaxial growth
metallicity
Transition metals
transition metals
moments
Atoms
ferrimagnets
Chemical analysis
tendencies
plane waves
atoms
simulation

ASJC Scopus subject areas

  • Condensed Matter Physics

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Half-metallic ferrimagnetism in zincblende Mn-doped transition metal chalcogenides. / Nakamura, Kohji; Ito, Tomonori; Freeman, Arthur J.

In: Physical Review B - Condensed Matter and Materials Physics, Vol. 72, No. 6, 01.08.2005.

Research output: Contribution to journalArticle

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