✦ LIBER ✦

First principles study of electronic structure and optical properties of double perovskite Ba2(InM)O6 [, Ta]

✍ Scribed by Alo Dutta; T.P. Sinha

Publisher: Elsevier Science
Year: 2010
Tongue: English
Weight: 530 KB
Volume: 150
Category: Article
ISSN: 0038-1098
DOI: 10.1016/j.ssc.2010.04.023

No coin nor oath required. For personal study only.

📜 SIMILAR VOLUMES

Crystal growth, structures, and optical

Crystal growth, structures, and optical properties of the cubic double perovskites Ba2MgWO6 and Ba2ZnWO6

✍ Daniel E. Bugaris; Jason P. Hodges; Ashfia Huq; Hans-Conrad zur Loye 📂 Article 📅 2011 🏛 Elsevier Science 🌐 English ⚖ 753 KB

Single crystals of the tungstates Ba 2 MgWO 6 and Ba 2 ZnWO 6 have been grown for the first time. The crystals were prepared with molten potassium carbonate acting as a flux. According to the singlecrystal X-ray diffraction structure determination, the compounds crystallize in space group Fm3 ¯m of

First-Principle Study of the Ferroelectr

First-Principle Study of the Ferroelectricity and Optical Properties of BaBi2Ta2O9

✍ Bin Xu; Lin Yi 📂 Article 📅 2007 🏛 John Wiley and Sons ⚖ 11 KB

First-principles study on electronic str

First-principles study on electronic structure and optical properties of Sn-doped β-Ga2O3

✍ Yijun Zhang; Jinliang Yan; Gang Zhao; Wanfeng Xie 📂 Article 📅 2010 🏛 Elsevier Science 🌐 English ⚖ 865 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

Structures and Magnetic Properties of Do

Structures and Magnetic Properties of Double Perovskites A2LnMO6 and 6H-Perovskites Ba3LnRu2O9 (A: Sr, Ba; Ln: Y, Lanthanides; M: Nb, Ta, Ru)

✍ Yukio Hinatsu; Yoshihiro Doi 📂 Article 📅 2003 🏛 John Wiley and Sons ⚖ 54 KB 👁 1 views

## Abstract For Abstract see ChemInform Abstract in Full Text.

Effects of aluminum vacancies on electro

Effects of aluminum vacancies on electronic structure and optical properties of Ta4AlC3: A first principles study

✍ Chenliang Li; Zhenqing Wang; Chaoying Wang 📂 Article 📅 2011 🏛 Elsevier Science 🌐 English ⚖ 368 KB

We investigated the effect of aluminum vacancies (V Al ) on the structural, electronic and optical properties of Ta 4 Al 1 À x C 3 (x ¼0, 0.25, 0.5, 0.75) based on the first-principle calculation using density functional theory. We found that the lattice constant a remains almost unchanged with the