First-Principles Study of Electronic Structure, Optical Properties and LO-TO Splitting of GaP

Abstract:

The electronic structure and optical properties of GaP were calculated using generalized gradients in density functional theory. The Bonn effective charge, optical frequency dielectric constant and the LO-TO splitting value were calculated by density functional theory perturbation method.

• Periodical: Key Engineering Materials (Volume 787)
• Pages: 9-15
• DOI: https://doi.org/10.4028/www.scientific.net/KEM.787.9
• Online since: November 2018
• Authors: Xian Bin Zhang*, Wen Jie Wu, Ning Kang Deng, Xu Yan Wei, Guan Qi Wang
• Keywords: Electrical Properties, First Principle, GaP, Optical Properties, Splitting of LO-TO

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