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Disproportionation Phenomena on Free and Strained Sn/Ge(111) and Sn/Si(111) Surfaces | | G.Ballabio
; G.Profeta
; S.de Gironcoli
; S.Scandolo
; G.E.Santoro
; E.Tosatti
; | | Date: |
9 Jul 2002 | | Subject: | Materials Science | cond-mat.mtrl-sci | | Affiliation: | 1,5), G.Profeta , S.de Gironcoli , S.Scandolo (1,3), G.E.Santoro , and E.Tosatti (1, 4) ( SISSA and INFM, Trieste, Italy, Univ. L’Aquila and INFM, L’Aquila, Italy, Princeton University, Princeton, NJ, ICTP, Trieste, Italy, Univ. Milano | | Abstract: | Distortions of the $sqrt3 imessqrt3$ Sn/Ge(111) and Sn/Si(111) surfaces are shown to reflect a disproportionation of an integer pseudocharge, $Q$, related to the surface band occupancy. A novel understanding of the $(3 imes3)$-1U (``1 up, 2 down’’) and 2U (``2 up, 1 down’’) distortions of Sn/Ge(111) is obtained by a theoretical study of the phase diagram under strain. Positive strain keeps the unstrained value Q=3 but removes distorsions. Negative strain attracts pseudocharge from the valence band causing first a $(3 imes3)$-2U distortion (Q=4) on both Sn/Ge and Sn/Si, and eventually a $(sqrt3 imessqrt3)$-3U (``all up’’) state with Q=6. The possibility of a fluctuating phase in unstrained Sn/Si(111) is discussed. | | Source: | arXiv, cond-mat/0207229 | | Services: | Forum | Review | PDF | Favorites | |
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