Understanding A and B-site engineered lead-free Ba(1−x)CaxZryTi(1−y)O3 piezoceramics: a perspective from DFT

S Premkumar,V L Mathe,S Radhakrishnan

doi:10.1039/d0tc05724j

Understanding A and B-site engineered lead-free Ba(1−x)CaxZryTi(1−y)O3 piezoceramics: a perspective from DFT

S Premkumar, V L Mathe + Show 1 more

https://doi.org/10.1039/d0tc05724j

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Journal: Journal of Materials Chemistry C	Publication Date: Jan 1, 2021
Citations: 15

Affiliation: Armament Research and Development Establishment, Savitribai Phule Pune University, High Energy Materials Research Laboratory

#Perovskite Solid Solutions #BaTiO3 + Show 1 more

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Abstract

DFT has been used to investigate the structural and polarization of Ba(1-x)CaxZryTi(1−y)O3, perovskite solid solutions namely BaTiO3 (BT), Ba(Zr0.125Ti0.875)O3 (BZT), (Ba0.875Ca0.125)TiO3 (BCT) and Ba0.875Ca0.125(Zr0.125Ti0.875)O3 (BCZT).

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