Screened-exchange determination of the optical properties of large gap insulators

CaF 2

Miyoung Kim, Yu Jun Zhao, Arthur J Freeman, W. Mannstadt

Research output: Contribution to journalArticle

12 Citations (Scopus)

Abstract

The electronic structure and optical properties of CaF 2 were analyzed using screen-exchange local density approximation (LDA). The optical energy gap was found to be 12.05 eV and implementation of LDA pushed up conduction bands. The top valence bands remain same in their structure but bandwidth was reduced by 0.5 ev from LDA bandwidth. The optical properties such as imaginary part of dielectric function and reflectance were used to determine ab initio with full matrix elements.

Original languageEnglish
Pages (from-to)3579-3581
Number of pages3
JournalApplied Physics Letters
Volume84
Issue number18
DOIs
Publication statusPublished - May 3 2004

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insulators
optical properties
approximation
bandwidth
conduction bands
electronic structure
valence
reflectance
matrices

ASJC Scopus subject areas

  • Physics and Astronomy (miscellaneous)

Cite this

Screened-exchange determination of the optical properties of large gap insulators : CaF 2. / Kim, Miyoung; Zhao, Yu Jun; Freeman, Arthur J; Mannstadt, W.

In: Applied Physics Letters, Vol. 84, No. 18, 03.05.2004, p. 3579-3581.

Research output: Contribution to journalArticle

Kim, Miyoung ; Zhao, Yu Jun ; Freeman, Arthur J ; Mannstadt, W. / Screened-exchange determination of the optical properties of large gap insulators : CaF 2. In: Applied Physics Letters. 2004 ; Vol. 84, No. 18. pp. 3579-3581.
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