X-RAY PHOTOELECTRON-SPECTROSCOPY AND THEORY OF THE VALENCE-BAND AND SEMICORE GA 3D STATES IN GAN

被引：107

作者：

LAMBRECHT, WRL ^{[1
]}

SEGALL, B ^{[1
]}

STRITE, S ^{[1
]}

MARTIN, G ^{[1
]}

AGARWAL, A ^{[1
]}

MORKOC, H ^{[1
]}

ROCKETT, A ^{[1
]}

机构：

[1] UNIV ILLINOIS, MAT RES LAB, URBANA, IL 61801 USA

来源：

PHYSICAL REVIEW B | 1994年 / 50卷 / 19期

关键词：

D O I：

10.1103/PhysRevB.50.14155

中图分类号：

T [工业技术];

学科分类号：

08 ;

摘要：

The effects of the Ga 3d semicore levels on the electronic structure of GaN are discussed. While band-structure theory using the local-density approximation predicts these states to overlap with the N 2s band and to have important effects on the total energy, x-ray photoelectron spectroscopy (XPS) shows that they occur ∼3 eV below the N 2s band. This apparent discrepancy is resolved by means of a so-called Δ SCF or difference of self-consistent-fields calculation, in which the binding energy is calculated as a total-energy difference including solid state screening effects by means of the excited-atom model. The calculated valence-band densities of states are found to be in good agreement with the XPS spectrum. The differences between zinc blende and wurtzite GaN are discussed. © 1994 The American Physical Society.

引用

页码：14155 / 14160

页数：6

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