Simulation of optical function for phosphide crystals following the DFT band structure calculations

Article ID	Journal	Published Year	Pages	File Type
5395081	Computational and Theoretical Chemistry	2011	6 Pages	PDF

Abstract

âº This paper investigates the electronic and optical functions of ZB III-phosphide by using DFT. âº The common trends and the differences of properties among the III-phosphide are presented. âº Calculated results indicate ZB III-phosphide can serve as shielding devices for ultraviolet radiation.

Keywords

Optical functions electronic structure First-principles calculations

Related Topics

Physical Sciences and Engineering Chemistry Physical and Theoretical Chemistry

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Simulation of optical function for phosphide crystals following the DFT band structure calculations

Authors

Z.-Y. Jiao, S.-H. Ma, Y.-L. Guo,