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

Date

2009-09-01

Author

Usanmaz, D.
ÇAKMAK, MELEK
Ellialtıoğlu, Süleyman Şinasi

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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.

Subject Keywords

Materials Chemistry, Surfaces, Coatings and Films, Surfaces and Interfaces, Condensed Matter Physics

URI

https://hdl.handle.net/11511/56325

Journal

SURFACE SCIENCE

DOI

https://doi.org/10.1016/j.susc.2009.07.002

Collections

Graduate School of Natural and Applied Sciences, Article

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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.