Direct to indirect band gap transition in ultrathin ZnO nanowires under uniaxial compression

被引：59

作者：

Zhang, Yang

Wen, Yu-Hua ^{[1
]}

Zheng, Jin-Cheng

Zhu, Zi-Zhong

机构：

[1] Xiamen Univ, Dept Phys, Xiamen 361005, Peoples R China

来源：

APPLIED PHYSICS LETTERS | 2009年 / 94卷 / 11期

基金：

中国国家自然科学基金;

关键词：

ab initio calculations; energy gap; II-VI semiconductors; nanowires; semiconductor quantum wires; solid-state phase transformations; wide band gap semiconductors; zinc compounds; NANOBELTS; NANOSTRUCTURES;

D O I：

10.1063/1.3104852

中图分类号：

O59 [应用物理学];

学科分类号：

摘要：

The direct to indirect band gap transition in ultrathin [0001] ZnO nanowires with the structural transformation from the regular wurtzite structure to a more close-packed hexagonal structure during uniaxial compression is studied by using the first-principles calculations. The results show that all ZnO nanowires exhibit direct band gap in wurtzite structure and indirect band gap in hexagonal structure. For the same wire the band gap in hexagonal structure is smaller than that in wurtzite structure. The origin of the band gap transition from direct to indirect one is discussed.

引用

页数：3

共 22 条

[1]

Blaha P, 2001, CALCULATING CRYSTAL, V60

[2] Local structure of condensed zinc oxide -: art. no. 104101 [J].