✦ LIBER ✦

First-principles calculations of the structural, electronic and optical properties of and

✍ Scribed by A. Chahed; O. Benhelal; S. Laksari; B. Abbar; B. Bouhafs; N. Amrane

Publisher: Elsevier Science
Year: 2005
Tongue: English
Weight: 485 KB
Volume: 367
Category: Article
ISSN: 0921-4526
DOI: 10.1016/j.physb.2005.06.007

No coin nor oath required. For personal study only.

📜 SIMILAR VOLUMES

First-principles calculations of the str

First-principles calculations of the structural, elastic, electronic and optical properties of orthorhombic LiGaS2 and LiGaSe2

✍ Tian-hui Ma; Chun-hui Yang; Ying Xie; Liang Sun; Wei-qiang Lv; Rui Wang; Yu-lan 📂 Article 📅 2010 🏛 Elsevier Science 🌐 English ⚖ 363 KB

First-principles calculations of the str

First-principles calculations of the structural, electronic, and optical properties of LiF up to 300 GPa

✍ Zhi-Hong Sun; Jun Dong; Yan-Wen Xia 📂 Article 📅 2011 🏛 Elsevier Science 🌐 English ⚖ 882 KB

The structural, electronic, and optical properties of LiF are investigated at high pressures using the plane-wave pseudo-potential density functional method (DFT) within the generalized gradient approximation (GGA). From the analysis of Gibbs free energies, we find that no phase transition takes pla

The electronic structures and optical pr

The electronic structures and optical properties of BaTiO3 and SrTiO3 using first-principles calculations

✍ C.B. Samantaray; Hyunjun Sim; Hyunsang Hwang 📂 Article 📅 2005 🏛 Elsevier Science 🌐 English ⚖ 229 KB

First-principles calculations on the ele

First-principles calculations on the electronic structure and optical properties of Mg2Si epitaxial on Si (111)

✍ Qian Chen; Quan Xie 📂 Article 📅 2011 🏛 Elsevier 🌐 English ⚖ 336 KB

Structural, electronic and optical prope

Structural, electronic and optical properties of orthorhombic from first principles calculations

✍ C.A. Barboza; J.M. Henriques; E.L. Albuquerque; E.W.S. Caetano; V.N. Freire; J.A 📂 Article 📅 2010 🏛 Elsevier Science 🌐 English ⚖ 526 KB

Electronic structures and optical proper

Electronic structures and optical properties of by first-principle calculations

✍ Z.B. Li; X. Wang; K.L. Yao 📂 Article 📅 2010 🏛 Elsevier Science 🌐 English ⚖ 312 KB

First-principle calculations on the electronic structures and magnetic properties of Na doped in CuInSe 2 with different percentages reveal that the parameters and band gap increase with increasing Na. It reveals that the band gap increases 0.114 eV for 1/8 Cu replaced by Na, which exists in good ag