Strain influence on valence-band ordering and excitons in ZnO: An ab initio study

A. Schleife, C. Rödl, F. Fuchs, J. Furthmüller, F. Bechstedt

Research output: Contribution to journalArticlepeer-review

Abstract

Modern parameter-free methods to treat single- and two-particle electronic excitations are applied to compute the band structure and the lowest optical transitions of wurtzite ZnO under biaxial strain. The calculations are based on density functional theory with a spatially nonlocal exchange and correlation functional and include spin-orbit interaction. Quasiparticle shifts and excitonic effects are computed. In addition to the band parameters, also their dependence on biaxial strain and the ordering of the A, B, and C excitons are investigated. While the crystal-field splitting is very sensitive to strain, the spin-orbit splittings and the exciton binding energies remain unaffected.

Original languageEnglish (US)
Article number241915
JournalApplied Physics Letters
Volume91
Issue number24
DOIs
StatePublished - 2007
Externally publishedYes

ASJC Scopus subject areas

  • Physics and Astronomy (miscellaneous)

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