Crossroads electronic structure of MnS, MnSe, and MnTe

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

*Corresponding author for this work

Research output: Contribution to journalArticlepeer-review

39 Scopus citations

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 (US)
Pages (from-to)1411-1414
Number of pages4
JournalPhysica Status Solidi (B) Basic Research
Volume241
Issue number7
DOIs
StatePublished - Jun 1 2004

ASJC Scopus subject areas

  • Electronic, Optical and Magnetic Materials
  • Condensed Matter Physics

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