Please use this identifier to cite or link to this item: https://doi.org/10.1016/j.jcrysgro.2005.10.067
Title: Lattice dynamics and electrical properties of wurtzite ZnO determined by a density functional theory method
Authors: Yu, Z.G.
Gong, H. 
Wu, P.
Keywords: A1. Computer simulation
B2. Semiconducting II-VI materials
Issue Date: 18-Jan-2006
Citation: Yu, Z.G., Gong, H., Wu, P. (2006-01-18). Lattice dynamics and electrical properties of wurtzite ZnO determined by a density functional theory method. Journal of Crystal Growth 287 (1) : 199-203. ScholarBank@NUS Repository. https://doi.org/10.1016/j.jcrysgro.2005.10.067
Abstract: We calculated the lattice dynamics and electronic structure of wurtzite ZnO using a density functional theory method. The theoretical values for lattice constants, internal parameters, bulk modules and the pressure-dependence phonon frequency of the A1 TO phonon are in excellent agreement with experimental ones. Analysis on the ground charge density predicts a possible doping new path for p-type ZnO. © 2005 Elsevier B.V. All rights reserved.
Source Title: Journal of Crystal Growth
URI: http://scholarbank.nus.edu.sg/handle/10635/86488
ISSN: 00220248
DOI: 10.1016/j.jcrysgro.2005.10.067
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