Half-metallicity at ferromagnetic/antiferromagnetic interfaces in zincblende transition-metal chalcogenides: A full-potential linearized augmented plane-wave study within LDA+U

Kohji Nakamura; Toru Akiyama; Tomonori Ito; A. J. Freeman

doi:10.1063/1.2828521

Half-metallicity at ferromagnetic/antiferromagnetic interfaces in zincblende transition-metal chalcogenides: A full-potential linearized augmented plane-wave study within LDA+U

Kohji Nakamura^*, Toru Akiyama, Tomonori Ito, A. J. Freeman

^*Corresponding author for this work

Physics and Astronomy

Research output: Contribution to journal › Article › peer-review

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Abstract

Electronic structures and half-metallicity at ferromagneticantiferromagnetic (AFM) interfaces in zincblende transition-metal chalcogenides, CrSeMnSe and CrTeMnTe, are investigated by means of the first principles full-potential linearized augmented plane-wave method within the LDA+U, and the effect of correlation in the 3d states on the half-metallic interfaces is discussed. The uncompensated AFM interface with the antiparallel alignment of the Cr and Mn moments at the interfaces shows an excellent half-metallicity, where the correlation effect tends to manifest the half-metallic interfaces. This indicates that these interfaces offer a key ingredient as promising exchange bias candidates in having interfaces with 100% spin polarization at the Fermi level.

Original language	English (US)
Article number	07C901
Journal	Journal of Applied Physics
Volume	103
Issue number	7
DOIs	https://doi.org/10.1063/1.2828521
State	Published - 2008

Funding

Computations were partially performed at the ISSP, University of Tokyo. Work at Northwestern University was supported by the NSF (through its MRSEC program at the Materials Research Center).

ASJC Scopus subject areas

General Physics and Astronomy

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10.1063/1.2828521

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title = "Half-metallicity at ferromagnetic/antiferromagnetic interfaces in zincblende transition-metal chalcogenides: A full-potential linearized augmented plane-wave study within LDA+U",

abstract = "Electronic structures and half-metallicity at ferromagneticantiferromagnetic (AFM) interfaces in zincblende transition-metal chalcogenides, CrSeMnSe and CrTeMnTe, are investigated by means of the first principles full-potential linearized augmented plane-wave method within the LDA+U, and the effect of correlation in the 3d states on the half-metallic interfaces is discussed. The uncompensated AFM interface with the antiparallel alignment of the Cr and Mn moments at the interfaces shows an excellent half-metallicity, where the correlation effect tends to manifest the half-metallic interfaces. This indicates that these interfaces offer a key ingredient as promising exchange bias candidates in having interfaces with 100% spin polarization at the Fermi level.",

author = "Kohji Nakamura and Toru Akiyama and Tomonori Ito and Freeman, {A. J.}",

note = "Funding Information: Computations were partially performed at the ISSP, University of Tokyo. Work at Northwestern University was supported by the NSF (through its MRSEC program at the Materials Research Center).",

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AU - Nakamura, Kohji

AU - Akiyama, Toru

AU - Ito, Tomonori

AU - Freeman, A. J.

N1 - Funding Information: Computations were partially performed at the ISSP, University of Tokyo. Work at Northwestern University was supported by the NSF (through its MRSEC program at the Materials Research Center).

PY - 2008

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N2 - Electronic structures and half-metallicity at ferromagneticantiferromagnetic (AFM) interfaces in zincblende transition-metal chalcogenides, CrSeMnSe and CrTeMnTe, are investigated by means of the first principles full-potential linearized augmented plane-wave method within the LDA+U, and the effect of correlation in the 3d states on the half-metallic interfaces is discussed. The uncompensated AFM interface with the antiparallel alignment of the Cr and Mn moments at the interfaces shows an excellent half-metallicity, where the correlation effect tends to manifest the half-metallic interfaces. This indicates that these interfaces offer a key ingredient as promising exchange bias candidates in having interfaces with 100% spin polarization at the Fermi level.

AB - Electronic structures and half-metallicity at ferromagneticantiferromagnetic (AFM) interfaces in zincblende transition-metal chalcogenides, CrSeMnSe and CrTeMnTe, are investigated by means of the first principles full-potential linearized augmented plane-wave method within the LDA+U, and the effect of correlation in the 3d states on the half-metallic interfaces is discussed. The uncompensated AFM interface with the antiparallel alignment of the Cr and Mn moments at the interfaces shows an excellent half-metallicity, where the correlation effect tends to manifest the half-metallic interfaces. This indicates that these interfaces offer a key ingredient as promising exchange bias candidates in having interfaces with 100% spin polarization at the Fermi level.

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Half-metallicity at ferromagnetic/antiferromagnetic interfaces in zincblende transition-metal chalcogenides: A full-potential linearized augmented plane-wave study within LDA+U

Abstract

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