๐”– Bobbio Scriptorium
โœฆ   LIBER   โœฆ

Adhesion at a heterophase interface: First-principles study of Mo(001)/MoSi2(001)

โœ Scribed by T. Hong; J. R. Smith; D. J. Srolovitz


Publisher
Springer
Year
1994
Tongue
English
Weight
976 KB
Volume
1
Category
Article
ISSN
0927-7056

No coin nor oath required. For personal study only.


๐Ÿ“œ SIMILAR VOLUMES


A First-Principles Study on Surface Magn
โœ Gee Kim, In ;Il Lee, Jae ;Hong, Soon C. ๐Ÿ“‚ Article ๐Ÿ“… 2002 ๐Ÿ› John Wiley and Sons ๐ŸŒ English โš– 82 KB ๐Ÿ‘ 2 views

We have performed first-principles calculations for the electronic structures of Ni 1--x Pd x / Cu 3 Au(001), interfacing at Cu layer by use of the all-electron full-potential linearized augmented plane wave (FLAPW) method, within the generalized gradient approximation (GGA). Ni/Cu(001) with the sam

A first-principles DFT study of UN bulk
โœ R. A. Evarestov; A. V. Bandura; M. V. Losev; E. A. Kotomin; Yu. F. Zhukovskii; D ๐Ÿ“‚ Article ๐Ÿ“… 2008 ๐Ÿ› John Wiley and Sons ๐ŸŒ English โš– 249 KB

## Abstract LCAO and PW DFT calculations of the lattice constant, bulk modulus, cohesive energy, charge distribution, band structure, and DOS for UN single crystal are analyzed. It is demonstrated that a choice of the uranium atom relativistic effective core potentials considerably affects the band