Prediction of Large Second Harmonic Generation in the Metal-Oxide/Organic Hybrid Compound CuMoO<sub>3</sub>(p2c)

Prediction of Large Second Harmonic Generation in the Metal-Oxide/Organic Hybrid Compound CuMoO<sub>3</sub>(p2c)

Noncentrosymmetric hybrid framework (HF) materials are an important system in discovering new practical second-order nonlinear optical materials. We calculated the second harmonic generation (SHG) response of a noncentrosymmetric (NCS) organic–inorganic HF compound, CuMoO<sub>3</sub>(p2c...

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Bibliographic Details
Main Authors: Tingting Yang, Xueli Huang, Xiyue Cheng, Paul A. Maggard, Myung-Hwan Whangbo, Chengkai Luan, Shuiquan Deng
Format: Article
Language:English
Published: MDPI AG 2022-04-01
Series:Symmetry
Subjects:
nonlinear optical material
noncentrosymmetric
MOF
atom response theory
DFT calculation
Online Access:https://www.mdpi.com/2073-8994/14/4/824

Internet

https://www.mdpi.com/2073-8994/14/4/824

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