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.
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Xiao, LP., Li, XB., Zeng, L. et al. Influence of pressure on electronic and optical properties of phosphorus-doped ZnO. Eur. Phys. J. B 91, 31 (2018). https://doi.org/10.1140/epjb/e2017-80379-9
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DOI: https://doi.org/10.1140/epjb/e2017-80379-9