Piezoelectric tensor of AlN calculated by the Berry phase approach implemented in Quantum ESPRESSO

Authors

Paul Daniel Salvador Ang National Institute of Physics, University of the Philippines - Diliman
Francis N. C. Paraan National Institute of Physics, University of the Philippines Diliman

Abstract

The proper piezoelectric tensor of AlN was determined using the changes of the Berry phases in response to axial and shear strains in the linear regime. Phases arose from the variation of the wavevector of the Bloch states. Calculations were done in the Quantum ESPRESSO software package using Vanderbilt's formulation of the proper piezoelectric tensor. The maximum longitudinal piezoelectric modulus |e_ij|_max coefficient of 1.461 C/m² was found when both the change in the Berry phase and strain were along the c-axis.

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Issue

2018: Proceedings of the 36th Samahang Pisika ng Pilipinas Physics Conference

Article ID

SPP-2018-PB-12

Section

Poster Session B (Complex Systems, Simulations, and Theoretical Physics)

Published

2018-05-23

How to Cite

[1]

PDS Ang and FNC Paraan, Piezoelectric tensor of AlN calculated by the Berry phase approach implemented in Quantum ESPRESSO, Proceedings of the Samahang Pisika ng Pilipinas 36, SPP-2018-PB-12 (2018). URL: https://proceedings.spp-online.org/article/view/SPP-2018-PB-12.