𝔖 Bobbio Scriptorium
✦   LIBER   ✦

Dislocation core properties of aluminum: a first-principles study

✍ Scribed by Gang Lu; Nicholas Kioussis; Vasily V Bulatov; Efthimios Kaxiras

Book ID
108467064
Publisher
Elsevier Science
Year
2001
Tongue
English
Weight
199 KB
Volume
309-310
Category
Article
ISSN
0921-5093

No coin nor oath required. For personal study only.

πŸ“œ SIMILAR VOLUMES

Effects of aluminum vacancies on electro
Effects of aluminum vacancies on electronic structure and optical properties of Ta4AlC3: A first principles study
✍ Chenliang Li; Zhenqing Wang; Chaoying Wang πŸ“‚ Article πŸ“… 2011 πŸ› Elsevier Science 🌐 English βš– 368 KB

We investigated the effect of aluminum vacancies (V Al ) on the structural, electronic and optical properties of Ta 4 Al 1 Γ€ x C 3 (x ΒΌ0, 0.25, 0.5, 0.75) based on the first-principle calculation using density functional theory. We found that the lattice constant a remains almost unchanged with the

Surface properties of titanium nitride:
Surface properties of titanium nitride: A first-principles study
✍ Chao Wang; Yongbing Dai; Haiyan Gao; Xiaoming Ruan; Jun Wang; Baode Sun πŸ“‚ Article πŸ“… 2010 πŸ› Elsevier Science 🌐 English βš– 467 KB

The low-index surfaces of TiN are calculated using the first-principles method based on density functional theory. It is found that the relaxation effect is mainly localized in the outmost three layers for all surfaces, and the distance reduction of the outmost interlayer for the N-terminated (111)