BAND-STRUCTURE AND ELECTRONIC-PROPERTIES OF FESI AND ALPHA-FESI(2)

被引:23
作者
GIRLANDA, R [1 ]
PIPARO, E [1 ]
BALZAROTTI, A [1 ]
机构
[1] UNIV ROMA TOR VERGATA,DIPARTIMENTO FIS,I-00133 ROME,ITALY
关键词
D O I
10.1063/1.357519
中图分类号
O59 [应用物理学];
学科分类号
摘要
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.
引用
收藏
页码:2837 / 2840
页数:4
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