Investigation of nonlinear optical properties in α-A<sub>2</sub>BB′O<sub>6</sub> (A = Li, Na, K; B = Ti, Zr, Hf; B′ = Se, Te) by first-principles calculations-Reference-Cited by-同舟云学术

Investigation of nonlinear optical properties in α-A₂BB′O₆ (A = Li, Na, K; B = Ti, Zr, Hf; B′ = Se, Te) by first-principles calculations

Published:2024 Issue:5 Volume:26 Page:4403-4411
ISSN:1463-9076
Container-title:Physical Chemistry Chemical Physics
language:en
Short-container-title:Phys. Chem. Chem. Phys.

Author:

Fang Gaojing¹²,Teng Xiaojun³,Yan Luo¹⁴^ORCID,Wu Yu¹^ORCID,Xue Kui¹⁴,Zhang Xiaofeng⁴^ORCID,Ding Yi-min¹^ORCID,Zhou Liujiang¹⁴^ORCID,Wen Qiye¹²^ORCID

Affiliation:

1. Yangtze Delta Region Institute (Huzhou), University of Electronic Science and Technology of China, Huzhou 313001, China

2. School of Electronic Science and Engineering, University of Electronic Science and Technology of China, Chengdu 610054, China

3. Chengdu Answer Information Technology Co., Ltd., Chengdu 610041, China

4. School of Physics, University of Electronic Science and Technology of China, Chengdu 610054, China

Abstract

The electronic and nonlinear optical properties of A2BB′O6 materials are studied comprehensively, where the SHG coefficient is directly proportional to the value of total dipole moment and distortion, and inversely proportional to the bandgap.

Funder

National Key Research and Development Program of China

National Natural Science Foundation of China

Thousand Young Talents Program of China

Publisher

Royal Society of Chemistry (RSC)

Link

http://pubs.rsc.org/en/content/articlepdf/2024/CP/D3CP05174A

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