Electronic Structure and Optical Properties of Mgo Band Structure Calculation and Cluster Model

V. S. Stepanyuk, A. Szász, B. L. Grigorenko, O. V. Farberovich, A. A. Katsnelson

Research output: Contribution to journalArticle

17 Citations (Scopus)

Abstract

The electronic structure of MgO is calculated in the framework of local‐density theory using the LAPW resp. cluster Xα‐SW method. The results of an improved permittivity calculation is compared with optical measurements, yielding good agreement. The effect of pressure on the electronic structure is studied for NaCl symmetry. It is found that the direct gap becomes indirect already for a compression of V/V0 = 0.9.

Original languageEnglish
Pages (from-to)179-184
Number of pages6
Journalphysica status solidi (b)
Volume155
Issue number1
DOIs
Publication statusPublished - 1989

ASJC Scopus subject areas

  • Electronic, Optical and Magnetic Materials
  • Condensed Matter Physics

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