IFISUR   23398
INSTITUTO DE FISICA DEL SUR
Unidad Ejecutora - UE
congresos y reuniones científicas
Título:
Electronic Structure and soft magnetic properties of Se/FeSiAl (110) films
Autor/es:
V. CARDOZO SCHWINDT; J. S. ARDENGHI; P. BECHTHOLD; E. A. GONZÁLEZ; P. V. JASEN; A. JUAN; B. SETINA BATIC; M. JENKO
Lugar:
Antalya
Reunión:
Congreso; 30th European Conference on Surface Science; 2014
Resumen:
Se adsorption on FeSiAl (110) films is studied using density functional theory (DFT). Selenium is adsorbed in a four fold Fe hollow on the surface with an energy value of - 5.30 eV. Iron atoms in FeSiAl alloy present lower magnetic moment than the corresponding on Fe bcc, the presence of Se, modifies this parameter from 2.34 μB in the clean surface to 1.64 μB at 1 ML coverage. The density of states present a decrease in intensity near the Fermi level and contribution of Se states in the d band region between - 6 eV and -1.8 eV and a sharp peak at -13.1 eV from Se 4s, stabilized after adsorption. A strong Fe-Se bond is formed at expenses of the metallic bond at 2.386 A.