Markus Heinemann

Auger recombination rates in ZnMgO from first principles

We investigate direct electron-electron-hole interband Auger recombination for wurtzite Zn1-xMgxO alloys in the range 0 ≤ x ≤ 1. Recombination rates are computed by interpolating the band structure and transition matrix elements from ab initio calculations of bulk ZnO, Zn0.5Mgn0.5O, and MgO primitive cells. We find that interband Auger recombination is most probable for Mg concentrations around 50%, where ZnMgO does not exist in a stable wurtzite phase. Since, for low Mg concentrations, the calculated Auger coefficients are far below 10−32 cm6/s, we do not expect significant nonradiative loss through direct interband recombination in wurtzite ZnMgO.

The Physics of Copper Oxide (Cu2O)

Abstract The physics of cuprous oxide (Cu 2 O) is reviewed with respect to structural, optical, and electrical properties. New experimental findings are included especially in the context of theoretical band-structure calculations. Intrinsic defects related to nonstoichiometry are made responsible for the p-type conduction. First preliminary experiments on the alloying of Cu 2 O by sulfur are reported.

Band Structure and Effective Masses of Zn 1-x Mg x O

We analyze the influence of the Mg concentration on several important properties of the band structure of Zn1−xMgxO alloys in wurtzite structure using ab initio calculations. For this purpose, the band structure for finite concentrations is defined in terms of the Bloch spectral density, which can be calculated within the coherent potential approximation. We investigate the concentration dependence of the band gap and the crystal-field splitting of the valence bands. The effective electron and hole masses are determined by extending the effective mass model to finite concentrations. We compare our results with experimental results and other calculations.

Band Structure and Effective Masses of Zn1-xMgxO

We analyze the influence of the Mg concentration on several important properties of the band structure of Zn1−xMgxO alloys in wurtzite structure using ab initio calculations. For this purpose, the band structure for finite concentrations is defined in terms of the Bloch spectral density, which can be calculated within the coherent potential approximation. We investigate the concentration dependence of the band gap and the crystal-field splitting of the valence bands. The effective electron and hole masses are determined by extending the effective mass model to finite concentrations. We compare our results with experimental results and other calculations.

Band Structure and Effective Masses of ZnMgO

We analyze the influence of the Mg concentration on several important properties of the band structure of Zn1−xMgxO alloys in wurtzite structure using ab initio calculations. For this purpose, the band structure for finite concentrations is defined in terms of the Bloch spectral density, which can be calculated within the coherent potential approximation. We investigate the concentration dependence of the band gap and the crystal-field splitting of the valence bands. The effective electron and hole masses are determined by extending the effective mass model to finite concentrations. We compare our results with experimental results and other calculations.