First-Principles Study of the Optical Properties of SrHfO<sub>3</sub>

• 作者: Hamdollah Salehi Hosein Tolabinejad
• 来源期刊: 光学与光子学期刊(英文)
• 学科: 物理学
• 关键词: OPTICAL Properties SrHfO3 WIEN2k FP-LAPW DFT GGA
• 年，卷（期）: 2011,（2）
• 页码范围: 75-80
• 页数: 6页
• 分类号: O48

摘要

The optical properties of SrHfO3,were studied by first principle using the density functional theory.The 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.