𝔖 Bobbio Scriptorium
✦   LIBER   ✦

Screened hybrid density functional study on Nb- and Ta-doped TiO

✍ Scribed by Yamamoto, Takenori; Ohno, Takahisa


Book ID
120295199
Publisher
The American Physical Society
Year
2012
Tongue
English
Weight
614 KB
Volume
85
Category
Article
ISSN
1098-0121

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