𝔖 Bobbio Scriptorium
✦   LIBER   ✦

Structural, electronic and magnetic effects of Al-doped niobium clusters: a density functional theory study

✍ Scribed by Huai-Qian Wang, Hui-Fang Li, Jia-Xian Wang, Xiao-Yu Kuang


Book ID
113053388
Publisher
Springer-Verlag
Year
2011
Tongue
English
Weight
483 KB
Volume
18
Category
Article
ISSN
1610-2940

No coin nor oath required. For personal study only.


πŸ“œ SIMILAR VOLUMES


Geometries, stabilities and electronic p
✍ Shi Shun-Ping; Cao Yi-Ping; Zhai Ai-Ping; Li Yang; Jin Xing-Xing πŸ“‚ Article πŸ“… 2011 πŸ› Elsevier Science 🌐 English βš– 623 KB

The host Ga n ΓΎ 1 and doped Ga n Nb (n ΒΌ 1-9) clusters with several spin configurations have been systematically investigated by a relativistic density functional theory (DFT) with the generalized gradient approximation. The optimized equilibrium geometries tend to prefer the close-packed configurat