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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)...
| Autores principales: | , , , , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
The Royal Society of Chemistry
2020
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| Materias: | |
| 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 |