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First-principles calculations of electronic structures and absorption spectra of YAlO3 crystals with F center

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Bibliographic Details
Published in:	Computational materials science 2009-07, Vol.46 (1), p.225-228
Main Authors:	Chen, Jianyu, Zhao, Guangjun, Cao, Dunhua, Li, Hongjun, Zhou, Shengming
Format:	Article
Language:	English
Subjects:	Condensed matter: electronic structure, electrical, magnetic, and optical properties Electron density of states and band structure of crystalline solids Electron states Exact sciences and technology Methods of electronic structure calculations Optical constants: refractive index, complex dielectric constant, absorption, reflection and transmission coefficients, emissivity Optical properties and condensed-matter spectroscopy and other interactions of matter with particles and radiation Optical properties of bulk materials and thin films Other inorganic compounds Physics
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