Ab initio calculation of electronic properties of Ga1-xAlxN alloys

被引：42

作者：

Agrawal, BK

Agrawal, S

Yadav, PS

Kumar, S

机构：

[1] Physics Department, Allahabad University

来源：

JOURNAL OF PHYSICS-CONDENSED MATTER | 1997年 / 9卷 / 08期

关键词：

D O I：

10.1088/0953-8984/9/8/008

中图分类号：

O469 [凝聚态物理学];

学科分类号：

070205 ;

摘要：

The electronic properties of the wide-band-gap semiconducting ordered Ga1-xAlxN alloys (for x = 0.0, 0.25, 0.50, 0.75 and 1.0) and the random alloys have been investigated by using a full-potential self-consistent linear muffin tin orbital (LMTO) method. The calculated direct band gap for random distribution of cation nearest-neighbour tetrahedral clusters in the Ga1-xAlxN alloys for any arbitrary concentration x is seen to show a quite linear variation in agreement with the experiment. On the other hand, the indirect band gap remains invariant. We observe a direct to indirect band gap crossover at x = 0.59. The band gap bowing is seen to be very small.

引用

页码：1763 / 1775

页数：13

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