First-Principles Study of the Optical Properties of SrHfO<sub>3</sub>
First-Principles Study of the Optical Properties of SrHfO<sub>3</sub>作者机构：不详
出 版 物：《Optics and Photonics Journal》 (光学与光子学期刊（英文）)
年 卷 期：2011年第1卷第2期
页 面：75-80页
学科分类：07[理学] 0809[工学-电子科学与技术（可授工学、理学学位）] 070205[理学-凝聚态物理] 08[工学] 0805[工学-材料科学与工程（可授工学、理学学位）] 080502[工学-材料学] 0702[理学-物理学]
主 题：Optical Properties SrHfO3 WIEN2k FP-LAPW DFT GGA
摘 要：The optical properties of SrHfO3,were studied by first principle using the density functional *** dielectric functions and optical constants are calculated using the full potential–linearized augmented plane wave (FP-LAPW) method with the generalized gradient approximation(GGA)by Wien2k package. The theoretical calculated optical properties and energy loss(EEL)spectrum yield a static refractive index of1. 924and a Plasmon energy of 27eVfor cubic phase. The complex dielectric functions are calculated which are in good agreement with the available experimental results.
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