Atomic and electronic structure of group-IV adsorbates on the GaAs(001)-(1 x 2) surface

2009-09-01
Usanmaz, D.
ÇAKMAK, MELEK
Ellialtıoğlu, Süleyman Şinasi
Ab initio calculations, based on pseudopotentials and density functional theory, have been performed to investigate the atomic and electronic structure of the group-IV adsorbates (C, Si, Ge, Sn, and Pb) on the GaAs(001)-(1 x 2) surface considered in two different models: (i) non-segregated Ga-IV-capped structure and (ii) segregated structure in which the group-IV atoms occupying the second layer while the As atom floats to the surface. The non-segregated structure is energetically more favorable than the segregated structure for Sn and Pb, whereas it is the other way around for C, Si, and Ge.
SURFACE SCIENCE

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Citation Formats
D. Usanmaz, M. ÇAKMAK, and S. Ş. Ellialtıoğlu, “Atomic and electronic structure of group-IV adsorbates on the GaAs(001)-(1 x 2) surface,” SURFACE SCIENCE, pp. 2683–2687, 2009, Accessed: 00, 2020. [Online]. Available: https://hdl.handle.net/11511/56325.