Electronic Structure of Beta Silicon Nitride
WANG Renzhi, CHEN Chuanhong
Department of Physics, Xiamen University, Xiamen 361005
Electronic Structure of Beta Silicon Nitride
WANG Renzhi;CHEN Chuanhong
Department of Physics, Xiamen University, Xiamen 361005
关键词 ：
71.25.Tn
Abstract ： Electron structure of silicon nitride β-Si3 N4 was calculated by LMTO-ASA method cooperated with the use of Löwdin perturbation technique that saved computation time considerably. The results are in good agreement with that of ab initio pseudopotential method and indicate that appropriate setting of empty spheres is especially important for a crystal with a widely open structure.
Key words ：
71.25.Tn
出版日期: 1993-12-01
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1993, Vol. 10 
