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First-principles study on the structural, elastic, electronic and optical properties of LiNbO(3)
The structural, electronic, elastic, mechanical and optical properties of technologically important lithium niobate (LiNbO(3)) have been investigated by using the first-principle calculations based on density functional theory (DFT) implemented in the CASTEP code. The lattice constants and unit cell...
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
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Elsevier
2019
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| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6458495/ https://www.ncbi.nlm.nih.gov/pubmed/31008386 http://dx.doi.org/10.1016/j.heliyon.2019.e01436 |