Linear elastic and piezoelectric response of BaNiO₃ to strain

Authors

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

Abstract

Preliminary ab initio calculations were done in Quantum ESPRESSO to obtain the piezoelectric coefficients of BaNiO₃ by computing the stress and polarization induced by strain. The linear elastic response to strain was investigated under the six deformation modes to obtain full elastic stiffness tensor. A linear polarization response was found using the Berry-phase method. These results would be utilized in future work to calculate the piezoelectric coefficients of BaNiO₃ and other perovskites.

Downloads

Issue

2017: Proceedings of the 35th Samahang Pisika ng Pilipinas Physics Conference

Article ID

SPP-2017-PB-36

Section

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

Published

2017-06-07

How to Cite

[1]

PDS Ang and FNC Paraan, Linear elastic and piezoelectric response of BaNiO3 to strain, Proceedings of the Samahang Pisika ng Pilipinas 35, SPP-2017-PB-36 (2017). URL: https://proceedings.spp-online.org/article/view/209.