Second harmonic generation responses of KH(2)PO(4): importance of K and breaking down of Kleinman symmetry

The second harmonic generation (SHG) responses of the paraelectric and ferroelectric phases of KH(2)PO(4) (KDP) were calculated by first-principles density functional theory (DFT) calculations, and the individual atom contributions to the SHG responses were analyzed by the atom response theory (ART)...

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Detalles Bibliográficos
Autores principales: Jia, Minghao, Cheng, Xiyue, Whangbo, Myung-Hwan, Hong, Maochun, Deng, Shuiquan
Formato: Online Artículo Texto
Lenguaje:English
Publicado: The Royal Society of Chemistry 2020
Materias:
Chemistry
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9055420/
https://www.ncbi.nlm.nih.gov/pubmed/35519749
http://dx.doi.org/10.1039/d0ra03136d

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9055420/
https://www.ncbi.nlm.nih.gov/pubmed/35519749
http://dx.doi.org/10.1039/d0ra03136d

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