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Title: Ab Initio Studies of Ge Addimers on the Si(100) Surface

Abstract

The atomic and electronic structures of Ge dimers adsorbed on top of a Si(100) flat surface has been investigated by first-principles molecular dynamics method. Four high-symmetry configurations have been considered and thoroughly relaxed. The most stable configuration for Ge dimers is found to be on the trough, in the middle of, and parallel to the substrate Si dimers. These results are consistent with recent experimental studies of the system using the scanning tunneling microscopy.

Authors:
Publication Date:
Research Org.:
ORNL Oak Ridge National Laboratory
Sponsoring Org.:
USDOE
OSTI Identifier:
820603
Report Number(s):
P00-106532
Journal ID: ISSN 0020-7608; IJQCB2; TRN: US200610%%39
DOE Contract Number:  
AC05-00OR22725
Resource Type:
Journal Article
Journal Name:
International Journal of Quantum Chemistry
Additional Journal Information:
Journal Volume: 80; Journal Issue: 4-5; Journal ID: ISSN 0020-7608
Country of Publication:
United States
Language:
English
Subject:
36 MATERIALS SCIENCE; SILICON; SURFACE PROPERTIES; GERMANIUM; ADSORPTION; DIMERS; ELECTRONIC STRUCTURE; MOLECULAR DYNAMICS METHOD; MOLECULAR STRUCTURE

Citation Formats

Zhang, Q.-M. Ab Initio Studies of Ge Addimers on the Si(100) Surface. United States: N. p., 2000. Web. doi:10.1002/1097-461X(2000)80:4/5<708::AID-QUA20>3.0.CO;2-2.
Zhang, Q.-M. Ab Initio Studies of Ge Addimers on the Si(100) Surface. United States. doi:10.1002/1097-461X(2000)80:4/5<708::AID-QUA20>3.0.CO;2-2.
Zhang, Q.-M. Thu . "Ab Initio Studies of Ge Addimers on the Si(100) Surface". United States. doi:10.1002/1097-461X(2000)80:4/5<708::AID-QUA20>3.0.CO;2-2.
@article{osti_820603,
title = {Ab Initio Studies of Ge Addimers on the Si(100) Surface},
author = {Zhang, Q.-M.},
abstractNote = {The atomic and electronic structures of Ge dimers adsorbed on top of a Si(100) flat surface has been investigated by first-principles molecular dynamics method. Four high-symmetry configurations have been considered and thoroughly relaxed. The most stable configuration for Ge dimers is found to be on the trough, in the middle of, and parallel to the substrate Si dimers. These results are consistent with recent experimental studies of the system using the scanning tunneling microscopy.},
doi = {10.1002/1097-461X(2000)80:4/5<708::AID-QUA20>3.0.CO;2-2},
journal = {International Journal of Quantum Chemistry},
issn = {0020-7608},
number = 4-5,
volume = 80,
place = {United States},
year = {2000},
month = {5}
}