BAND STRUCTURES AND PRESSURE-DEPENDENCE OF THE BAND-GAPS OF GAN

被引:23
作者
LU, WC [1 ]
ZHANG, KM [1 ]
XIE, XD [1 ]
机构
[1] FUDAN UNIV,DEPT PHYS,SHANGHAI 200433,PEOPLES R CHINA
关键词
D O I
10.1088/0953-8984/5/7/014
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 with the atomic-sphere approximation to study the ground-state properties, band structures and pressure dependence of the band gaps of zincblende GaN. The equilibrium lattice constant calculated is smaller than the experimental value by about 2%. It is found that the fundamental band gap is direct from GAMMA15v to GAMMA1c and that the value (3.90 eV) is in good agreement with the experimental value. The linear pressure coefficient for this band gap is much smaller than those for GaAs and GaP. The total density of states and local density of states are discussed. Moreover, the band structure of wurtzite GaN is also studied. It is found that the band gap of wurtzite GaN is smaller than that of zincblende GaN, which agrees well with the experimental results.
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页码:875 / 882
页数:8
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