Title: Self-assembled Bi nanolines on the InAs(100) surface: a theoretical study

Authors: A.Z. AlZahrani, G.P. Srivastava

Addresses: School of Physics, University of Exeter, Stocker Road, Exeter EX4 4QL, UK. ' School of Physics, University of Exeter, Stocker Road, Exeter EX4 4QL, UK

Abstract: The authors have performed an ab initio theoretical investigation of the stability, atomic geometry and electronic properties of the self-assembled Bi nanolines on the Bi-stabilised InAs(100) surface. The calculations were performed within the local density approximation of the density functional theory, using pseudopotentials to describe the electron-ion interactions. The authors have examined several metastable Bi nanolines arrangements on the top of the Bi-stabilised InAs(100) surface. The authors| total energy calculations suggest that the most stable configuration of the Bi nanolines is formed by Bi dimers parallel to the Bi dimers on the Bi/InAs(100) surface.

Keywords: semiconductor surfaces; Bi nanolines; density functional theory; local density approximation; DFT-LDA; InAs(100) surface; scanning tunnelling microscope; STM; nanomaterials; nanotechnology; self assembly; pseudopotentials.

DOI: 10.1504/IJNBM.2009.027709

International Journal of Nano and Biomaterials, 2009 Vol.2 No.1/2/3/4/5, pp.155 - 163

Published online: 08 Aug 2009 *

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