BAND-STRUCTURE AND HIGH-PRESSURE PHASE-TRANSITION IN GAN

被引：61
|
作者：
GORCZYCA, I
CHRISTENSEN, NE
机构：
[1] POLISH ACAD SCI,HIGH PRESSURE RES CTR,PL-01142 WARSAW,POLAND
[2] MAX PLANCK INST FESTKORPERFORSCH,W-7000 STUTTGART 80,GERMANY
[3] AARHUS UNIV,INST PHYS,DK-8000 AARHUS,DENMARK
来源：
SOLID STATE COMMUNICATIONS | 1991年 / 80卷 / 05期
关键词：
D O I：
10.1016/0038-1098(91)90141-H
中图分类号：
O469 [凝聚态物理学];
学科分类号：
070205 ;
摘要：
The Linear Muffin-Tin Orbital method is used to calculate the band structure and investigate the structural properties of GaN under high pressure. The calculated band structure for zero pressure is found to be in good agreement with existing optical data and other calculations, but the energy gap is found to be (almost) direct contrary to a recent pseuodopotential calculation. The calculated pressure coefficient of the main energy gap as well as the modulus are in very good agreement with the newest experimental data. A phase transition to the rocksalt structure is predicted to occur at 65 GPa.
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页码：335 / 338
页数：4
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