✦ LIBER ✦

First-principles study on electronic structures and color centers in BaWO4 crystal with barium vacancy

✍ Scribed by Haiyan Zhang; Tingyu Liu; Qiren Zhang; Xi’en Wang; Xiaofeng Guo; Min Song; Jigang Yin

Publisher: Elsevier Science
Year: 2009
Tongue: English
Weight: 439 KB
Volume: 404
Category: Article
ISSN: 0921-4526
DOI: 10.1016/j.physb.2009.01.011

No coin nor oath required. For personal study only.

📜 SIMILAR VOLUMES

First-principles study on electronic str

First-principles study on electronic structures and absorption spectra for BaWO4 crystal containing barium vacancy

✍ Haiyan Zhang; Tingyu Liu; Qiren Zhang; Xi’en Wang; Xiaofeng Guo; Min Song; Jigan 📂 Article 📅 2009 🏛 Elsevier Science 🌐 English ⚖ 538 KB

First-principles study on electronic str

First-principles study on electronic structures of BaMoO4 crystals containing F and F+ color centers

✍ Xiaofeng Guo; Qiren Zhang; Tingyu Liu; Min Song; Jigang Yin; Haiyan Zhang; Xi’en 📂 Article 📅 2009 🏛 Elsevier Science 🌐 English ⚖ 397 KB

Ab-initio study on the electronic struct

Ab-initio study on the electronic structures of LiLuF4 crystal containing F and F2 color centers

✍ Min Song; Qiren Zhang; Tingyu Liu; Qi Song; Jigang Yin; Xiaofeng Guo; Haiyan Zha 📂 Article 📅 2009 🏛 Elsevier Science 🌐 English ⚖ 491 KB

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