Electronic structure of stishovite

Jose R. Alvarez, Peter Rez

Research output: Contribution to journalArticle

11 Citations (Scopus)

Abstract

The band structure and the total density of states (DOS) have been calculated for stishovite using both an ab-initio pseudopotential code and the Linearized Augmented Plane Wave (LAPW) method. In particular, projected densities of states at both Si and O sites have been calculated for comparison with inner shell line structures. The low loss spectrum has been estimated. An appreciable amount of ionic behavior was found with oxygen taking charge away from silicon. Our results are in reasonable agreement with previous calculations. The electron energy-loss K and L2,3 near edge structures were also calculated and compared with experimental measurements.

Original languageEnglish (US)
Pages (from-to)37-42
Number of pages6
JournalSolid State Communications
Volume108
Issue number1
StatePublished - Aug 19 1998

Fingerprint

stishovite
Silicon
Band structure
Electronic structure
Energy dissipation
Oxygen
electronic structure
Electrons
pseudopotentials
plane waves
energy dissipation
electron energy
silicon
oxygen

Keywords

  • D. electronic band structure
  • D. electronic states (localized)
  • E. electron energy loss spectroscopy

ASJC Scopus subject areas

  • Materials Science(all)
  • Condensed Matter Physics

Cite this

Electronic structure of stishovite. / Alvarez, Jose R.; Rez, Peter.

In: Solid State Communications, Vol. 108, No. 1, 19.08.1998, p. 37-42.

Research output: Contribution to journalArticle

Alvarez, JR & Rez, P 1998, 'Electronic structure of stishovite', Solid State Communications, vol. 108, no. 1, pp. 37-42.
Alvarez, Jose R. ; Rez, Peter. / Electronic structure of stishovite. In: Solid State Communications. 1998 ; Vol. 108, No. 1. pp. 37-42.
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