Crossroads electronic structure of MnS, MnSe, and MnTe

S. J. Youn, B. I. Min, Arthur J Freeman

Research output: Contribution to journalArticle

35 Citations (Scopus)

Abstract

By using the LDA + U method, we have investigated the electronic structure of MnBVI (BVI = S, Se, Te)-which are end-point materials for wide gap semiconductors, A1-xIIMnxB VI (AII = Zn, Cd, Hg)-using parameters calculated by the so callled solid atom method. All these MnBVI compoounds have semiconducting electronic structure in the antiferromagnetic phase. The character of each energy gap is on the cossroads between charge transfer type insulators and band insulators. The LDA + U method yields enhanced energy gaps and magnetic moments, as compared to those of the LDA calculation in agreement with experimental values.

Original languageEnglish
Pages (from-to)1411-1414
Number of pages4
JournalPhysica Status Solidi (B) Basic Research
Volume241
Issue number7
DOIs
Publication statusPublished - Jun 2004

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Electronic structure
Energy gap
insulators
electronic structure
Magnetic moments
Charge transfer
magnetic moments
charge transfer
Semiconductor materials
moments
Atoms
atoms

ASJC Scopus subject areas

  • Electronic, Optical and Magnetic Materials
  • Condensed Matter Physics

Cite this

Crossroads electronic structure of MnS, MnSe, and MnTe. / Youn, S. J.; Min, B. I.; Freeman, Arthur J.

In: Physica Status Solidi (B) Basic Research, Vol. 241, No. 7, 06.2004, p. 1411-1414.

Research output: Contribution to journalArticle

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