New insight into the structural evolution of PbTiO3: an unbiased structure search-Reference-Cited by-同舟云学术

New insight into the structural evolution of PbTiO3: an unbiased structure search

Author:

Lu Cheng¹²³⁴⁵^ORCID,Wang Jingjing¹²³⁴⁶,Wang Ping¹²³⁴,Xia Xinxin¹²³⁴⁶,Jin Yuanyuan¹²³⁴⁶,Li Peifang⁷⁸⁹⁴,Bao Gang⁷⁸⁹⁴

Affiliation:

1. Department of Physics

2. Nanyang Normal University

3. Nanyang 473061

4. China

5. Department of Physics and High Pressure Science and Engineering Center

6. Institute of Atomic and Molecular Physics

7. College of Physics and Electronic Information

8. Inner Mongolia University for the Nationalities

9. Tongliao 028043

Abstract

The structural evolution of PbTiO₃has been investigated using the CALYPSO method in combination with density functional theory calculations.

Funder

National Natural Science Foundation of China

Publisher

Royal Society of Chemistry (RSC)

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

Link

Reference36 articles.

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