Structural and electronic properties and optical absorption of oxygen vacancy cluster defects in KDP crystals: hybrid density functional theory investigation-Reference-Cited by-同舟云学术

Structural and electronic properties and optical absorption of oxygen vacancy cluster defects in KDP crystals: hybrid density functional theory investigation

Published:2023 Issue:19 Volume:25 Page:2959-2965
ISSN:1466-8033
Container-title:CrystEngComm
language:en
Short-container-title:CrystEngComm

Author:

Li Yang¹^ORCID,Hao Guokai¹^ORCID,Bai Jianyu¹,Sui Tingting²^ORCID,Wei Liening¹^ORCID,Sun Xun¹,Zhao Xian¹,Xu Mingxia¹,Liu Baoan¹

Affiliation:

1. State Key Laboratory of Crystal Materials, Shandong University, Jinan 250100, China

2. Department of Physics, School of Mathematics and Physics, University of Science and Technology Beijing, Beijing 100083, China

Abstract

The electron transition between oxygen vacancies and cationic vacancies shortens the band gap of KDP crystals.

Funder

National Natural Science Foundation of China

Publisher

Royal Society of Chemistry (RSC)

Subject

Condensed Matter Physics,General Materials Science,General Chemistry

Link

http://pubs.rsc.org/en/content/articlepdf/2023/CE/D2CE01666D

Reference57 articles.

1. L. N.Rashkovich and O.Shlakhova , KDP-family single crystals , CRC Press , 2021

2. Developing KH2PO4and KD2PO4crystals for the world's most power laser

3. Evaluating the safe limit of large-aperture potassium dihydrogen phosphate crystals associated with transverse stimulated Raman scattering

4. KDP single crystal growth via three-dimensional motion growth method

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