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Dielectric properties and Raman spectra of ZnO from a first principles finite-differences/finite-fields approach
Using first principles calculations based on density functional theory and a coupled finite-fields/finite-differences approach, we study the dielectric properties, phonon dispersions and Raman spectra of ZnO, a material whose internal polarization fields require special treatment to correctly reprod...
| Autores principales: | , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
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Nature Publishing Group
2013
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| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3801111/ https://www.ncbi.nlm.nih.gov/pubmed/24141391 http://dx.doi.org/10.1038/srep02999 |