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Ab initio and scann...
Ab initio and scanning tunneling microscopy study of an indium-terminated GaAs(100) surface : An indium-induced surface reconstruction change in the c(8x2) structure
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Lang, J. J. K. (författare)
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Punkkinen, M. P. J. (författare)
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Laukkanen, P. (författare)
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Kuzmin, M. (författare)
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Tuominen, V. (författare)
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Pessa, M. (författare)
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Guina, M. (författare)
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Vayrynen, I. J. (författare)
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Kokko, K. (författare)
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- Johansson, Börje (författare)
- Uppsala universitet,KTH,Tillämpad materialfysik,Materialteori,Condensed Matter Theory Group
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- Vitos, Levente (författare)
- Uppsala universitet,KTH,Tillämpad materialfysik,Materialteori,Condensed Matter Theory Group
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(creator_code:org_t)
- 2010
- 2010
- Engelska.
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Ingår i: Physical Review B. Condensed Matter and Materials Physics. - 1098-0121 .- 1550-235X. ; 81:24, s. 245305-
- Relaterad länk:
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https://urn.kb.se/re...
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https://doi.org/10.1...
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https://urn.kb.se/re...
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Abstract
Ämnesord
Stäng
- Technologically useful indium- (In) terminated c(8 x 2)-reconstructed GaAs(100) substrate surface has been studied by first-principles calculations and scanning tunneling microscopy (STM) measurements. Our total-energy calculations demonstrate the stability of four different so-called zeta a structures with In monomer rows and In coverage between 0.5 and 2 monolayers on the GaAs(100) substrate. Thus, we introduce a surface system, which stabilizes the zeta a reconstruction. Furthermore, an interesting trend is found. Atomic structure of the c(8 x 2) reconstruction depends on the surface-layer cation and substrate volumes, which, in principle, allows to tune the surface structure by cation adsorption. This phenomenon is related to the peculiar c(8 x 2) atomic surface structure, which shows mixed surface layer, including both anions and cations, and uncommon metallic-type cations in the zeta a structure, which do not show covalent bonds. Our results predict a structural transition from the zeta structure to the zeta a structure as the surface cation size is increased at 0 K. The found transition is probably related to the disordered surface structures (consisting of zeta and zeta a building blocks) found experimentally by x-ray diffraction at room temperature. Comparison of the STM images, calculated for various c(8 x 2) models, with the former and present measured STM images of In/GaAs(100) c(8 x 2) supports the presence of stable zeta a reconstructions.
Ämnesord
- NATURVETENSKAP -- Fysik -- Den kondenserade materiens fysik (hsv//swe)
- NATURAL SCIENCES -- Physical Sciences -- Condensed Matter Physics (hsv//eng)
- NATURVETENSKAP -- Fysik (hsv//swe)
- NATURAL SCIENCES -- Physical Sciences (hsv//eng)
Nyckelord
- Condensed matter physics
- Kondenserade materiens fysik
- Physics
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Lang, J. J. K.
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Punkkinen, M. P. ...
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Laukkanen, P.
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Kuzmin, M.
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Tuominen, V.
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Pessa, M.
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visa fler...
-
Guina, M.
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Vayrynen, I. J.
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Kokko, K.
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Johansson, Börje
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Vitos, Levente
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visa färre...
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