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Phonon Deformation Potential Constants of Wurtzite ZnO: A First-Principles Study

  • Kazuhiro Shimada (a1), Tomoyasu Hiramatsu (a1) and Hitoshi Kato (a1)


We performed first-principles calculations to obtain the phonon deformation potential (PDP) constants of wurtzite ZnO. The results are in good agreement with available experimental data except for a few PDP constants. We also found that the phonon frequencies of the A1 and B2 modes have relatively stronger nonlinear characteristics than the other modes.



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