✦ LIBER ✦

Crystal structures and electronic structures of alkali aluminohexahydrides from density functional calculations

✍ Scribed by O.M. Løvvik; O. Swang

Book ID: 116598627
Publisher: Elsevier Science
Year: 2005
Tongue: English
Weight: 230 KB
Volume: 404-406
Category: Article
ISSN: 0925-8388
DOI: 10.1016/j.jallcom.2004.10.099

No coin nor oath required. For personal study only.

📜 SIMILAR VOLUMES

Density functional electronic structures

Density functional electronic structures calculations of GeSe2

✍ Kan Hachiya 📂 Article 📅 2001 🏛 Elsevier Science 🌐 English ⚖ 378 KB

The electronic structures of uranium bor

The electronic structures of uranium borides from local spin density functional calculations

✍ S.F. Matar; J. Etourneau 📂 Article 📅 2000 🏛 Elsevier Science 🌐 English ⚖ 948 KB

Geometric and Electronic Structures of T

Geometric and Electronic Structures of Tc and Mn Clusters by Density Functional Calculations

✍ R. Sekine; R. Kondo; T. Yamamoto; J. Onoe 📂 Article 📅 2003 🏛 Springer 🌐 English ⚖ 78 KB

Local density functional calculations of

Local density functional calculations of the electronic structures of the intermetallic systems U2Fe2Sn and UFe2Ge2

✍ S. F. Matar; V. Eyert; B. Chevalier; J. Etourneau 📂 Article 📅 1997 🏛 John Wiley and Sons 🌐 English ⚖ 156 KB 👁 2 views

The electronic structures of U Fe Sn and UFe Ge are self-consistently calculated within 2 2 2 2 Ž . the local density functional theory using the augmented spherical wave ASW method. Calculations are scalar relativistic. The experimentally observed Pauli paramagnetic behavior of the two systems is a

Crystal structure of Ca(AlH4)2 predicted

Crystal structure of Ca(AlH4)2 predicted from density-functional band-structure calculations

✍ Løvvik, O. 📂 Article 📅 2005 🏛 The American Physical Society 🌐 English ⚖ 221 KB

Electronic structure and magnetic proper

Electronic structure and magnetic properties in Nitrogen-doped from density functional calculations

✍ Wen-Zhi Xiao; Ling-Ling Wang; Liang Xu; Qing Wan; An-Lian Pan 📂 Article 📅 2010 🏛 Elsevier Science 🌐 English ⚖ 965 KB

Based on first-principles spin-polarized density functional theory calculations, the electronic and magnetic properties of nitrogen-doped monoclinic β-phase gallium oxide are investigated. Calculations predict that the spin-polarized state is stable with a magnetic moment of about 1.0 µ B per nitrog