Electronic Structure of Beta Silicon Nitride

Chin. Phys. Lett.

1993, Vol. 10

Issue (12): 741-743 DOI:

Original Articles

Electronic Structure of Beta Silicon Nitride

WANG Renzhi;CHEN Chuanhong

Department of Physics, Xiamen University, Xiamen 361005

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WANG Renzhi, CHEN Chuanhong 1993 Chin. Phys. Lett. 10 741-743

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Abstract Electron structure of silicon nitride β-Si₃N₄ 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.

Keywords: 71.25.Tn

Published: 01 December 1993

PACS:

71.25.Tn

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https://cpl.iphy.ac.cn/ OR https://cpl.iphy.ac.cn/Y1993/V10/I12/0741

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