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

被引：50

作者：

Schleife, A. ^{[1
]}

Roedl, C. ^{[1
]}

Fuchs, F. ^{[1
]}

Furthmueller, J. ^{[1
]}

Bechstedt, F.

机构：

[1] Univ Jena, Inst Festkorpertheorie & Opt, European Theoret Spectroscopy, D-07743 Jena, Germany

来源：

APPLIED PHYSICS LETTERS | 2007年 / 91卷 / 24期

关键词：

Density functional theory - Electric excitation - Optical transitions - Strain measurement;

D O I：

10.1063/1.2825277

中图分类号：

O59 [应用物理学];

学科分类号：

摘要：

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. (c) 2007 American Institute of Physics.

引用

页数：3

共 20 条

[1]

Aulbur WG, 2000, SOLID STATE PHYS, V54, P1

[2] ACOUSTIC INVESTIGATION OF THE ELASTIC PROPERTIES OF ZNO FILMS [J].