Influence of pressure on electronic and optical properties of phosphorus-doped ZnO

Ling-Ping Xiao (), Xiao-Bin Li, Li Zeng and Xue Yang
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Ling-Ping Xiao: Jiangxi Science and Technology Normal University
Xiao-Bin Li: Jiangxi University of Technology
Li Zeng: AVIC Jiangxi Hongdu Aviation Industry Group Corporation Limited
Xue Yang: Key Laboratory of Materials Physics, Institute of Solid State Physics, Chinese Academy of Sciences

The European Physical Journal B: Condensed Matter and Complex Systems, 2018, vol. 91, issue 2, 1-8

Abstract: Abstract In this work, the geometrical, electronic structure and optical properties of P-doped ZnO under high pressures have been investigated using first-principles methods. The pressure effects on the lattice parameters, electronic band structures, and partial density of states of crystalline P-doped ZnO are calculated up to 8 GPa. Moreover, the evolution of the dielectric function, absorption coefficient (αω)), reflectivity (R(ω)), and the real part of the refractive index (n(ω)) at high pressure are also presented.

Keywords: Statistical; and; Nonlinear; Physics (search for similar items in EconPapers)
Date: 2018
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DOI: 10.1140/epjb/e2017-80379-9

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