Hybrid density functional theory for the stability and electronic properties of Fe-doped cluster defects in KDP crystal-Reference-Cited by-同舟云学术

Hybrid density functional theory for the stability and electronic properties of Fe-doped cluster defects in KDP crystal

Author:

Sui Tingting¹^ORCID,Wan Chubin¹,Xu Mingxia²,Sun Xun²,Xu Xinguang²,Ju Xin¹^ORCID

Affiliation:

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

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

Abstract

The defect state induced by FeP2− + VO2+ cluster defects strengthens the charge transfer along the direction of x in KDP crystal.

Funder

University of Science and Technology Beijing

Shandong University

Publisher

Royal Society of Chemistry (RSC)

Subject

Condensed Matter Physics,General Materials Science,General Chemistry

Link

Reference35 articles.

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

2. D. N.Nikogosyan , Nonlinear optical crystals: a complete survey , Springer , Cork, Ireland , 2001

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