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

Published online by Cambridge University Press:  20 February 2014

Kazuhiro Shimada ,
Tomoyasu Hiramatsu  and
Hitoshi Kato
Kazuhiro Shimada
Affiliation:
Division of Electrical and Electronic Engineering, College of Science and Engineering, Kanto Gakuin University, Yokohama 236-8501, Japan.
Tomoyasu Hiramatsu
Affiliation:
Division of Electrical and Electronic Engineering, College of Science and Engineering, Kanto Gakuin University, Yokohama 236-8501, Japan.
Hitoshi Kato
Affiliation:
Division of Electrical and Electronic Engineering, College of Science and Engineering, Kanto Gakuin University, Yokohama 236-8501, Japan.
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Abstract

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.

Keywords

simulationoptical propertiesstress/strain relationship
Type
Articles
Information
MRS Online Proceedings Library (OPL) , Volume 1588: Symposium E – Functional Oxide Thin Films and Heterostructures for Innovative Devices , 2014 , jsapmrs13-1588-6371
Copyright
Copyright © Materials Research Society 2014 

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