TY - JOUR
T1 - Bi-induced reconstructions on Si(100)
AU - Tang, Shaoping
AU - Freeman, A. J.
N1 - Copyright:
Copyright 2015 Elsevier B.V., All rights reserved.
PY - 1994
Y1 - 1994
N2 - Two reconstruction structures are proposed for Bi adsorption on Si(100) based on a first-principles local-density-functional molecular-cluster study employing total energies and atomic forces. Bi dimers, rather than monomers, are predicted to form the basic structure on the Si(100) surface. At high coverage, Bi adsorption leads to the breaking of Si dimers, which in turn removes the reconstruction of Si(100)2×1. Our results appear to explain recent results of scanning tunneling microscopy experiments.
AB - Two reconstruction structures are proposed for Bi adsorption on Si(100) based on a first-principles local-density-functional molecular-cluster study employing total energies and atomic forces. Bi dimers, rather than monomers, are predicted to form the basic structure on the Si(100) surface. At high coverage, Bi adsorption leads to the breaking of Si dimers, which in turn removes the reconstruction of Si(100)2×1. Our results appear to explain recent results of scanning tunneling microscopy experiments.
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U2 - 10.1103/PhysRevB.50.1701
DO - 10.1103/PhysRevB.50.1701
M3 - Article
AN - SCOPUS:0009614624
VL - 50
SP - 1701
EP - 1704
JO - Physical Review B
JF - Physical Review B
SN - 0163-1829
IS - 3
ER -