✦ LIBER ✦

First-principles calculation of the electronic, dielectric, and dynamical properties of CaF2

✍ Scribed by Verstraete, Matthieu; Gonze, Xavier

Book ID: 111966669
Publisher: The American Physical Society
Year: 2003
Tongue: English
Weight: 184 KB
Volume: 68
Category: Article
ISSN: 1098-0121
DOI: 10.1103/physrevb.68.195123

No coin nor oath required. For personal study only.

📜 SIMILAR VOLUMES

First-principles study of electronic and

First-principles study of electronic and dynamical properties of AuAl2

✍ H. M. Tütüncü; H. Altuntaş; G. P. Srivastava; G. Uğur 📂 Article 📅 2004 🏛 John Wiley and Sons 🌐 English ⚖ 97 KB

First-principles study of dynamical and

First-principles study of dynamical and dielectric properties of tetragonal zirconia

✍ Rignanese, G.-M.; Detraux, F.; Gonze, X.; Pasquarello, Alfredo 📂 Article 📅 2001 🏛 The American Physical Society 🌐 English ⚖ 77 KB

Electronic and optical properties of CuG

Electronic and optical properties of CuGaS2: First-principles calculations

✍ Bin Xu; Xingfu Li; Zhen Qin; Congguo Long; Dapeng Yang; Jinfeng Sun; Lin Yi 📂 Article 📅 2011 🏛 Elsevier Science 🌐 English ⚖ 593 KB

Electronic structure and optical properties of CuGaS 2 are calculated using the full potential linearized augmented plane wave plus local orbitals method. The calculated equilibrium lattice is in reasonable agreement with the experimental data. The electronic structures indicate that CuGaS 2 is a se

The electronic, mechanical and lattice d

The electronic, mechanical and lattice dynamic properties of TiSiY from first-principles calculations

✍ Tao, Xiaoma; Chen, Chen; Li, Shenling; Ouyang, Yifang; Du, Yong 📂 Article 📅 2012 🏛 Elsevier Science 🌐 English ⚖ 762 KB

First-principle calculations of electron

First-principle calculations of electronic and positronic properties of AlGaAs2

✍ S. Laref; S. Meçabih; B. Abbar; B. Bouhafs; A. Laref 📂 Article 📅 2007 🏛 Elsevier Science 🌐 English ⚖ 544 KB

First-principles study of electronic, dy

First-principles study of electronic, dynamical and thermodynamic properties of Li2TiO3

✍ Wan, Z.; Yu, Y.; Zhang, H. F.; Gao, T.; Chen, X. J.; Xiao, C. J. 📂 Article 📅 2012 🏛 Springer 🌐 English ⚖ 618 KB