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Title: Ab initio study of the epitaxial growth of Ge on Si(100) surface

Abstract

We identify the binding sites for adsorption of a single Ge atom on the Si(100) surface using ab initio total energy calculations. The calculated diffusion barriers are in excellent agreement with experimental estimates. Using a large supercell we resolve the controversy regarding the binding geometry and migration path for the adatom, and investigate the influence of the adatom on the buckling of Si dimers. The adatom induces a buckling defect that is frequently observed using scanning tunneling microscopy (STM); therefore the study of single adatoms may be experimentally accessible.

Authors:
; ;  [1]; ;  [2]
  1. Oak Ridge National Lab., TN (United States)
  2. Cambridge Univ. (United Kingdom). Dept. of Physics
Publication Date:
Research Org.:
Oak Ridge National Lab., TN (United States)
Sponsoring Org.:
USDOE, Washington, DC (United States)
OSTI Identifier:
10126393
Report Number(s):
CONF-931108-83
ON: DE94007245
DOE Contract Number:  
AC05-84OR21400
Resource Type:
Conference
Resource Relation:
Conference: Fall meeting of the Materials Research Society (MRS),Boston, MA (United States),29 Nov - 3 Dec 1993; Other Information: PBD: Nov 1993
Country of Publication:
United States
Language:
English
Subject:
36 MATERIALS SCIENCE; GERMANIUM; EPITAXY; ADSORPTION; SILICON; SORPTIVE PROPERTIES; SURFACES; 360606; PHYSICAL PROPERTIES

Citation Formats

Milman, V, Pennycook, S J, Jesson, D E, Payne, M C, and Stich, I. Ab initio study of the epitaxial growth of Ge on Si(100) surface. United States: N. p., 1993. Web.
Milman, V, Pennycook, S J, Jesson, D E, Payne, M C, & Stich, I. Ab initio study of the epitaxial growth of Ge on Si(100) surface. United States.
Milman, V, Pennycook, S J, Jesson, D E, Payne, M C, and Stich, I. Mon . "Ab initio study of the epitaxial growth of Ge on Si(100) surface". United States. https://www.osti.gov/servlets/purl/10126393.
@article{osti_10126393,
title = {Ab initio study of the epitaxial growth of Ge on Si(100) surface},
author = {Milman, V and Pennycook, S J and Jesson, D E and Payne, M C and Stich, I},
abstractNote = {We identify the binding sites for adsorption of a single Ge atom on the Si(100) surface using ab initio total energy calculations. The calculated diffusion barriers are in excellent agreement with experimental estimates. Using a large supercell we resolve the controversy regarding the binding geometry and migration path for the adatom, and investigate the influence of the adatom on the buckling of Si dimers. The adatom induces a buckling defect that is frequently observed using scanning tunneling microscopy (STM); therefore the study of single adatoms may be experimentally accessible.},
doi = {},
url = {https://www.osti.gov/biblio/10126393}, journal = {},
number = ,
volume = ,
place = {United States},
year = {1993},
month = {11}
}

Conference:
Other availability
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