Understanding A and B-site engineered lead-free Ba(1−x)CaxZryTi(1−y)O3 piezoceramics: a perspective from DFT-Reference-Cited by-同舟云学术

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

Published:2021 Issue:12 Volume:9 Page:4248-4259
ISSN:2050-7526
Container-title:Journal of Materials Chemistry C
language:en
Short-container-title:J. Mater. Chem. C

Author:

Premkumar S.¹²³⁴⁵^ORCID,Radhakrishnan S.⁶²³^ORCID,Mathe V. L.⁴⁵²³^ORCID

Affiliation:

1. Armament Research and Development Establishment

2. Pune

3. India

4. Department of Physics

5. Savitribai Phule Pune University

6. High Energy Materials Research Laboratory

Abstract

DFT has been used to investigate the structural and polarization of Ba_(1-x)Ca_xZr_yTi_(1−y)O₃, perovskite solid solutions namely BaTiO₃ (BT), Ba(Zr_0.125Ti_0.875)O₃ (BZT), (Ba_0.875Ca_0.125)TiO₃ (BCT) and Ba_0.875Ca_0.125(Zr_0.125Ti_0.875)O₃ (BCZT).

Publisher

Royal Society of Chemistry (RSC)

Subject

Materials Chemistry,General Chemistry

Link

http://pubs.rsc.org/en/content/articlepdf/2021/TC/D0TC05724J

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