✦ LIBER ✦

First-principles study of electronic structure, chemical bonding, and optical properties of cubic SrHfO3

✍ Scribed by Zhenbao Feng; Haiquan Hu; Shouxin Cui; Chenglin Bai; Hengshuai Li

Book ID: 108191615
Publisher: Elsevier Science
Year: 2009
Tongue: English
Weight: 430 KB
Volume: 70
Category: Article
ISSN: 0022-3697
DOI: 10.1016/j.jpcs.2008.11.011

No coin nor oath required. For personal study only.

📜 SIMILAR VOLUMES

Electronic and Lattice Vibrational Prope

Electronic and Lattice Vibrational Properties of Cubic SrHfO3from First-Principles Calculations

✍ A. Yangthaisong 📂 Article 📅 2011 🏛 Springer US 🌐 English ⚖ 429 KB

First principles study of electronic str

First principles study of electronic structure and optical properties of CaTiO3

✍ S. Saha; T.P. Sinha; A. Mookerjee 📂 Article 📅 2000 🏛 Springer 🌐 English ⚖ 247 KB

First principles study on the optical pr

First principles study on the optical properties of cubic CaTiO3

✍ Yuan-xu Wang; Wei-lie Zhong; Chun-lei Wang; Pei-lin Zhang 📂 Article 📅 2001 🏛 Elsevier Science 🌐 English ⚖ 119 KB

First-principles study of structural, el

First-principles study of structural, electronic and optical properties of orthorhombic

✍ Qi-Jun Liu; Zheng-Tang Liu; Yun-Fang Liu; Li-Ping Feng; Hao Tian; Jian-Gang Ding 📂 Article 📅 2010 🏛 Elsevier Science 🌐 English ⚖ 907 KB

We have investigated the structural parameters, electronic structure and optical properties of orthorhombic SrZrO 3 using the plane-wave ultrasoft pseudopotential technique based on the first-principles densityfunctional theory (DFT). Our calculated structural parameters are in good agreement with t

First-principles study of structural, op

First-principles study of structural, optical and elastic properties of cubic HfO2

✍ Qijun Liu; Zhengtang Liu; Liping Feng; Bing Xu 📂 Article 📅 2009 🏛 Elsevier Science 🌐 English ⚖ 288 KB

The structural, optical and elastic properties of cubic HfO 2 were studied using the plane-wave ultrasoft pseudopotential technique based on the first-principles density-functional theory (DFT). The groundstate properties such as lattice parameter and bulk modulus were calculated and these results a

First-principles study on the electronic

First-principles study on the electronic structure and optical properties of CrSi2

✍ ShiYun Zhou; Quan Xie; WanJun Yan; Qian Chen 📂 Article 📅 2009 🏛 Science in China Press (SCP) 🌐 English ⚖ 569 KB