Excellent Infrared Nonlinear Optical Crystals BaMO(IO3)5 (M = V, Ta) Predicted by First Principle Calculations

Excellent Infrared Nonlinear Optical Crystals BaMO(IO3)5 (M = V, Ta) Predicted by First Principle Calculations

Two nonlinear optical crystals, BaVO(IO3)5 and BaTaO(IO3)5, are designed by substituting Nb with V and Ta, respectively, in BaNbO(IO3)5, which is itself a recently synthesized infrared nonlinear optical (NLO) material. The designs of BaVO(IO3)5 and BaTaO(IO3)5 from BaNbO(IO3)5 are based on the follo...

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Bibliographic Details
Main Authors: Yingfeng Li, Mengqi Cui, Hejin Yan, Yangxin Yu, Meicheng Li, Xiang Li, Lihua Chu, Bing Jiang, Mingde Qin
Format: Article
Language:English
Published: MDPI AG 2018-09-01
Series:Materials
Subjects:
SOJT
second harmonic generation
laser damage threshold
density functional theory
Online Access:http://www.mdpi.com/1996-1944/11/10/1809

Internet

http://www.mdpi.com/1996-1944/11/10/1809

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