Artículos de revistas
Self-consistent electronic structure of Mo(001) and W(001) surfaces
Registration in:
Physical Review B. American Physical Soc, v. 61, n. 15, n. 10417, n. 10426, 2000.
1098-0121
WOS:000086606200092
10.1103/PhysRevB.61.10417
Author
Legoas, SB
Araujo, AA
Laks, B
Klautau, AB
Frota-Pessoa, S
Institutions
Abstract
We report results for the surface band structures of molybdenum and tungsten (001) surfaces by employing the surface version of the first-principles, self-consistent real-space linear muffin-tin orbital method in the atomic sphere approximation. The surface state dispersions as well as the spectral density of states were obtained employing the transfer matrix scheme. The resulting surface band structures are compared with recent experimental measurements at temperatures above the transition temperature, as well as theoretical self-consistent calculations. 61 15 10417 10426