High throughput study on magnetic ground states with Hubbard U corrections in transition metal dihalide monolayers-Reference-Cited by-同舟云学术

High throughput study on magnetic ground states with Hubbard U corrections in transition metal dihalide monolayers

Published:2020 Issue:1 Volume:2 Page:495-501
ISSN:2516-0230
Container-title:Nanoscale Advances
language:en
Short-container-title:Nanoscale Adv.

Author:

Li Xinru¹²³⁴⁵^ORCID,Zhang Zeying⁶⁷⁸⁴⁵,Zhang Hongbin⁵⁹¹⁰¹¹

Affiliation:

1. College of Physics and Optoelectronic Engineering

2. Shenzhen University

3. 518060 Shenzhen

4. P. R. China

5. Institute of Materials Science

6. College of Mathematics and Physics

7. Beijing University of Chemical Technology

8. 100029 Beijing

9. Darmstadt University of Technology

10. 64287 Darmstadt

11. Germany

Abstract

We present a high throughput study of the magnetic ground states for 90 transition metal dihalide monolayers TMX₂ using density functional theory based on a collection of Hubbard U values.

Funder

Deutsche Forschungsgemeinschaft

Deutscher Akademischer Austauschdienst

National Natural Science Foundation of China

Publisher

Royal Society of Chemistry (RSC)

Subject

General Engineering,General Materials Science,General Chemistry,Atomic and Molecular Physics, and Optics,Bioengineering

Link

http://pubs.rsc.org/en/content/articlepdf/2020/NA/C9NA00588A

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