Accurate electronic properties and non-linear optical response of two-dimensional MA2Z4-Reference-Cited by-同舟云学术

Accurate electronic properties and non-linear optical response of two-dimensional MA2Z4

Published:2021 Issue:10 Volume:13 Page:5479-5488
ISSN:2040-3364
Container-title:Nanoscale
language:en
Short-container-title:Nanoscale

Author:

Yang Jia-Shu¹²³⁴⁵,Zhao Luneng¹²³⁴⁵,LI Shi-Qi¹²³⁴⁵,Liu Hongsheng¹²³⁴⁵^ORCID,Wang Lu⁶⁷⁸⁹¹⁰^ORCID,Chen Maodu¹²³⁴⁵^ORCID,Gao Junfeng¹²³⁴⁵^ORCID,Zhao Jijun¹²³⁴⁵

Affiliation:

1. Key Laboratory of Materials Modification by Laser

2. Ion and Electron Beams (Dalian University of Technology)

3. Ministry of Education

4. School of Physics

5. Dalian 116024

6. Institute of Functional Nano & Soft Materials (FUNSOM)

7. Jiangsu Key Laboratory for Carbon-Based Functional Materials & Devices

8. Soochow University

9. Suzhou

10. China

Abstract

The band gap/work function difference between PBE and HSE06 is 26%–101%/4%–18%, implying HSE06 level calculation is highly required. The photon energy-dependent second-order non-linear coefficients indicate extraordinary SHG response from MA2Z4.

Funder

National Natural Science Foundation of China

Publisher

Royal Society of Chemistry (RSC)

Subject

General Materials Science

Link

http://pubs.rsc.org/en/content/articlepdf/2021/NR/D0NR09146D

Reference38 articles.

1. A role for graphene in silicon-based semiconductor devices

2. Atomic-Scale Friction of Black Phosphorus: Effect of Thickness and Anisotropic Behavior

3. 2D Boron Sheets: Structure, Growth, and Electronic and Thermal Transport Properties