Linear elastic and piezoelectric response of BaNiO₃ to strain

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

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.

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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.