Modelling the structure of Zr-rich Pb(Zr1−xTix)O3, x = 0.4 by a multiphase approach-Reference-Cited by-同舟云学术

Modelling the structure of Zr-rich Pb(Zr1−xTix)O3, x = 0.4 by a multiphase approach

Published:2016 Issue:40 Volume:18 Page:28316-28324
ISSN:1463-9076
Container-title:Physical Chemistry Chemical Physics
language:en
Short-container-title:Phys. Chem. Chem. Phys.

Author:

Bogdanov Alexander¹²³⁴²,Mysovsky Andrey¹²³⁴²,Pickard Chris J.⁵⁶⁷⁸⁹,Kimmel Anna V.¹⁰¹¹⁷¹²¹³

Affiliation:

1. Vinogradov Institute of Geochemistry SB RAS

2. Irkutsk

3. Russia

4. Irkutsk National Research Technical University

5. Department of Materials Science and Metallurgy

6. University of Cambridge

7. UK

8. Advanced Institute for Materials Research

9. Tohoku University

10. National Physical Laboratory

11. Teddington TW11 0LW

12. Department of Physics and Astronomy

13. University College London

Abstract

Structure searching coupled with density functional theory methods provides a multiphase description of the structure of the Pb(Zr_1−xTi_x)O₃ compound.

Publisher

Royal Society of Chemistry (RSC)

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

Link

http://pubs.rsc.org/en/content/articlepdf/2016/CP/C6CP04976A

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