Issue 11, 2020

Structural stress and extra optical absorption induced by the intrinsic cation defects in KDP and ADP crystals: a theoretical study

Abstract

Intrinsic point defects are regarded as one of the dominant factors that can induce initial structural breakdown under laser irradiation and reduce the laser damage thresholds of potassium dihydrogen phosphate (KDP) and its analog ammonium dihydrogen phosphate (ADP) crystals. In this work, we theoretically investigated the structural stress and extra optical absorption induced by the cation defects (Hi, VP, VK, and VN) in both crystals. VP5− is identified as one of the main defects that can contribute to the reduced laser damage threshold of KDP. It can collapse the PO43− skeletal structure of KDP and introduce extra optical absorption at 310–620 nm. The relatively higher laser damage threshold of ADP is attributed to the difficulties in forming VP defects in the crystal. The dominant cation defects Hi+ and VN3+ in ADP cause less local stress than VP5− in KDP and do not introduce any defect states and extra optical absorption that may reduce the optical damage threshold. These calculation results agree well with the experiments. It is therefore suggested to control the VP concentration during the KDP crystal growth and treatment to effectively enhance its resistance to laser irradiation.

Graphical abstract: Structural stress and extra optical absorption induced by the intrinsic cation defects in KDP and ADP crystals: a theoretical study

Article information

Article type
Paper
Submitted
07 Dec 2019
Accepted
07 Feb 2020
First published
07 Feb 2020

CrystEngComm, 2020,22, 1962-1969

Structural stress and extra optical absorption induced by the intrinsic cation defects in KDP and ADP crystals: a theoretical study

T. Sui, L. Wei, Y. Lian, M. Xu, L. Zhang, Y. Li, X. Zhao, X. Xu and X. Sun, CrystEngComm, 2020, 22, 1962 DOI: 10.1039/C9CE01937E

To request permission to reproduce material from this article, please go to the Copyright Clearance Center request page.

If you are an author contributing to an RSC publication, you do not need to request permission provided correct acknowledgement is given.

If you are the author of this article, you do not need to request permission to reproduce figures and diagrams provided correct acknowledgement is given. If you want to reproduce the whole article in a third-party publication (excluding your thesis/dissertation for which permission is not required) please go to the Copyright Clearance Center request page.

Read more about how to correctly acknowledge RSC content.

Social activity

Spotlight

Advertisements