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• W1964833164 abstract "The crystal structures and the luminescent properties of FeSi(2) in the FeSi(2)/Si heteroepitaxial system have been investigated by first principles calculations. The results indicate that the heteroepitaxial beta-FeSi(2) facing Si(111) by the (110) plane will be deformed from an orthorhombic to a monoclinic P2(1)/c structure with a gamma angle of 95 degrees. The strained crystal has a direct gap band structure and a finite oscillator strength of 0.7 between the band edges at the Y point. Since an indirect type band structure is obtained for other heteroepitaxial relationships, as well as for the bulk beta-FeSi(2), we propose the strained FeSi(2)(110)/Si(111) structure to be the origin of the luminescence observed in the FeSi(2)/Si systems." @default.
• W1964833164 created "2016-06-24" @default.
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• W1964833164 date "2001-06-01" @default.
• W1964833164 modified "2023-09-24" @default.
• W1964833164 title "Luminescent FeSi2 Crystal Structures Induced by Heteroepitaxial Stress on Si(111)" @default.
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• W1964833164 doi "https://doi.org/10.1103/physrevlett.86.6006" @default.
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