Predicting the structural, electronic and magnetic properties of few atomic-layer polar perovskite-Reference-Cited by-同舟云学术

Predicting the structural, electronic and magnetic properties of few atomic-layer polar perovskite

Published:2021 Issue:9 Volume:23 Page:5578-5582
ISSN:1463-9076
Container-title:Physical Chemistry Chemical Physics
language:en
Short-container-title:Phys. Chem. Chem. Phys.

Author:

Xu Shaowen¹²³⁴⁵^ORCID,Jia Fanhao¹²³⁴⁵^ORCID,Hu Shunbo¹²³⁴⁵,Sundaresan Athinarayanan⁶⁷⁸⁹^ORCID,Ter-Oganessian Nikita V.¹⁰¹¹¹²¹³^ORCID,Pyatakov Alexander P.¹⁴¹⁵¹⁶¹³,Cheng Jinrong¹²³⁴⁵,Zhang Jincang¹²³⁴⁵,Cao Shixun¹²³⁴⁵^ORCID,Ren§ Wei¹²³⁴⁵^ORCID

Affiliation:

1. Physics Department

2. International Center for Quantum and Molecular Structures

3. Shanghai Key Laboratory of High Temperature Superconductors

4. Shanghai University

5. Shanghai 200444

6. Chemistry and Physics of Materials Unit

7. Jawaharlal Nehru Centre for Advanced Scientific Research

8. Bangalore-560064

9. India

10. Institute of Physics

11. Southern Federal University

12. Rostov-on-Don

13. Russia

14. M.V. Lomonosov Moscow State University

15. Faculty of Physics

16. Moscow

Abstract

Density functional theory predictions of polar perovskite KTaO₃ when approaching the two-dimensional (2D) limit for electrically neutral and charged few-atomic-layer cases.

Funder

National Natural Science Foundation of China

Shanghai University

Science and Technology Commission of Shanghai Municipality

China Scholarship Council

Russian Foundation for Basic Research

Publisher

Royal Society of Chemistry (RSC)

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

Link

http://pubs.rsc.org/en/content/articlepdf/2021/CP/D0CP06671K