The results of self-consistent linear muffin-tin orbital calculations for the ordered end members of the FeSi1+x series, i.e., FeSi (x = 0) with a CsCl structure and alpha-FeSi, (x = 1) with a tetragonal structure, predict semimetallic behavior for FeSi and metallic behavior and higher stability for alpha-FeSi2. The valence band density of state features of the alpha-FeSi2 differ slightly from those of the cubic fluorite (gamma-FeSi2). The analysis of the valence band photoemission spectra taken on silicide thin films epitaxially grown on Si(111) substrates estimates the composition of the mono- and disilicide phases present in the annealed films but does not determine the proposed formation of the distorted fluorite structure (alpha-FeSi2) well below its bulk stabilization temperature of 950-degrees-C.
Girlanda, R., Piparo, E., Balzarotti, A. (1994). BAND-STRUCTURE AND ELECTRONIC-PROPERTIES OF FESI AND ALPHA-FESI(2). JOURNAL OF APPLIED PHYSICS, 76(5), 2837-2840 [10.1063/1.357519].
BAND-STRUCTURE AND ELECTRONIC-PROPERTIES OF FESI AND ALPHA-FESI(2)
BALZAROTTI, ADALBERTO
1994-01-01
Abstract
The results of self-consistent linear muffin-tin orbital calculations for the ordered end members of the FeSi1+x series, i.e., FeSi (x = 0) with a CsCl structure and alpha-FeSi, (x = 1) with a tetragonal structure, predict semimetallic behavior for FeSi and metallic behavior and higher stability for alpha-FeSi2. The valence band density of state features of the alpha-FeSi2 differ slightly from those of the cubic fluorite (gamma-FeSi2). The analysis of the valence band photoemission spectra taken on silicide thin films epitaxially grown on Si(111) substrates estimates the composition of the mono- and disilicide phases present in the annealed films but does not determine the proposed formation of the distorted fluorite structure (alpha-FeSi2) well below its bulk stabilization temperature of 950-degrees-C.I documenti in IRIS sono protetti da copyright e tutti i diritti sono riservati, salvo diversa indicazione.
