Electronic, magnetic and optical properties of MnPX3 (X = S, Se) monolayers with and without chalcogen defects: a first-principles study-Reference-Cited by-同舟云学术

Electronic, magnetic and optical properties of MnPX3 (X = S, Se) monolayers with and without chalcogen defects: a first-principles study

Published:2020 Issue:2 Volume:10 Page:851-864
ISSN:2046-2069
Container-title:RSC Advances
language:en
Short-container-title:RSC Adv.

Author:

Yang Juntao¹²³⁴⁵,Zhou Yong¹²³⁴,Guo Qilin¹²³⁴,Dedkov Yuriy¹²³⁴^ORCID,Voloshina Elena¹²³⁴⁶^ORCID

Affiliation:

1. Department of Physics

2. Shanghai University

3. 200444 Shanghai

4. P. R. China

5. School of Science

6. Institute of Physical and Organic Chemistry

Abstract

Relative energy values (ΔE, in eV) as well as lattice parameters (in Å) for 3D MnPX₃ (X = S, Se) in different magnetic states obtained with PBE + U + D2.

Funder

National Natural Science Foundation of China

Natural Science Foundation of Hubei Province

Ministry of Education and Science of the Russian Federation

Publisher

Royal Society of Chemistry (RSC)

Subject

General Chemical Engineering,General Chemistry

Link

http://pubs.rsc.org/en/content/articlepdf/2020/RA/C9RA09030D

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3. Van der Waals heterostructures

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5. Research Update: Recent progress on 2D materials beyond graphene: From ripples, defects, intercalation, and valley dynamics to straintronics and power dissipation

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