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

  • Paul Daniel Salvador Ang National Institute of Physics, University of the Philippines - Diliman
  • Francis N. C. Paraan National Institute of the 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 |eij|max coefficient of 1.461 C/m2 was found when both the change in the Berry phase and strain were along the c-axis.

Published
2018-05-23
How to Cite
[1]
P. D. Ang and F. N. 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://paperview.spp-online.org/proceedings/article/view/SPP-2018-PB-12.
Section
Poster Session B (Complex Systems, Simulations, and Theoretical Physics)