Comparison of hydrogen vacancies in KDP and ADP crystals: a combination of density functional theory calculations and experiment-Reference-Cited by-同舟云学术

Comparison of hydrogen vacancies in KDP and ADP crystals: a combination of density functional theory calculations and experiment

Published:2019 Issue:11 Volume:21 Page:6186-6197
ISSN:1463-9076
Container-title:Physical Chemistry Chemical Physics
language:en
Short-container-title:Phys. Chem. Chem. Phys.

Author:

Sui Tingting¹²³⁴,Lian Yafei¹²³⁴,Xu Mingxia¹²³⁴,Zhang Lisong¹²³⁴,Li Yanlu¹²³⁴^ORCID,Zhao Xian¹²³⁴,Xu Xinguang¹²³⁴,Sun Xun¹²³⁴

Affiliation:

1. State Key Laboratory of Crystal Materials

2. Shandong University

3. Jinan 250100

4. China

Abstract

KDP and ADP crystals were grown by the rapid growth method, and the origin of the extra optical absorption in both crystals has been explored by theoretical method. The calculation results well explain the experimental phenomenon, and confirm the existence of hydrogen vacancies in both crystals.

Funder

National Natural Science Foundation of China

Ministry of Education of the People's Republic of China

Shandong University

Publisher

Royal Society of Chemistry (RSC)

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

Link

http://pubs.rsc.org/en/content/articlepdf/2019/CP/C8CP07685E

Reference47 articles.

1. L. N. Rashkovich , KDP-family single crystals , Published under the Adam Hilger imprint by IOP Publishing Ltd , 1991