Study of electronic structures and optical properties of tetragonal HfO2crystal

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作者：
State Key Lab of Solidification Processing, College of Materials Science and Engineering, Northwestern Polytechnical University, Xi'an 710072, China [1 ]
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来源：
Guangdianzi Jiguang | 2008年 / 12卷 / 1644-1647期
关键词：
Absorption spectroscopy - Refractive index - Crystal structure - Hafnium oxides - Local density approximation - Light absorption;
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摘要：
Electronic structure of tetragonal HfO2crystal has been calculated using localized density approximation (LDA) approach of density functional theory (DFT). Optical linear response functions of tetragonal HfO2were derived, including complex dielectric functions, optical absorption spectrum, complex refractive index and conductivity spectrum. The calculated results are in agreement with the experimental values. It is indicated that the theoretic method to calculate and predict the optical properties of HfO2is reliable.
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