First-Principle Cluster Investigation of Geometric and Electronic Structures of Boron-Adsorbed Si(lll) Surface

L. Luo; N. Sahoo; G. A. Smith; W. M. Gibson; T. P. Das

doi:10.1143/JPSJ.60.3139

First-Principle Cluster Investigation of Geometric and Electronic Structures of Boron-Adsorbed Si(lll) Surface

L. Luo, N. Sahoo, G. A. Smith, W. M. Gibson, T. P. Das

Research output: Contribution to journal › Article › peer-review

2 Scopus citations

Abstract

The self-consistent field Hartree-Fock cluster procedure applied to B and Al adsorbed on Si(1111) surface shows a greater binding energy for the B atom when it is located in the five-fold coordinated B5 site as compared to the four-fold T4 site. This is in contrast to A1 which prefers the T4 site. The result demonstrates strong theoretical support for recent conclusions from measurements of the B/Si(111) surface by a number of different experimental techniques including the results of our ion channeling measurements presented.

Original language	English (US)
Pages (from-to)	3139-3144
Number of pages	6
Journal	Journal of the Physical Society of Japan
Volume	60
Issue number	9
DOIs	https://doi.org/10.1143/JPSJ.60.3139
State	Published - Nov 1991
Externally published	Yes

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General Physics and Astronomy

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abstract = "The self-consistent field Hartree-Fock cluster procedure applied to B and Al adsorbed on Si(1111) surface shows a greater binding energy for the B atom when it is located in the five-fold coordinated B5 site as compared to the four-fold T4 site. This is in contrast to A1 which prefers the T4 site. The result demonstrates strong theoretical support for recent conclusions from measurements of the B/Si(111) surface by a number of different experimental techniques including the results of our ion channeling measurements presented.",

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AU - Luo, L.

AU - Sahoo, N.

AU - Smith, G. A.

AU - Gibson, W. M.

AU - Das, T. P.

PY - 1991/11

Y1 - 1991/11

N2 - The self-consistent field Hartree-Fock cluster procedure applied to B and Al adsorbed on Si(1111) surface shows a greater binding energy for the B atom when it is located in the five-fold coordinated B5 site as compared to the four-fold T4 site. This is in contrast to A1 which prefers the T4 site. The result demonstrates strong theoretical support for recent conclusions from measurements of the B/Si(111) surface by a number of different experimental techniques including the results of our ion channeling measurements presented.

AB - The self-consistent field Hartree-Fock cluster procedure applied to B and Al adsorbed on Si(1111) surface shows a greater binding energy for the B atom when it is located in the five-fold coordinated B5 site as compared to the four-fold T4 site. This is in contrast to A1 which prefers the T4 site. The result demonstrates strong theoretical support for recent conclusions from measurements of the B/Si(111) surface by a number of different experimental techniques including the results of our ion channeling measurements presented.

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First-Principle Cluster Investigation of Geometric and Electronic Structures of Boron-Adsorbed Si(lll) Surface

Abstract

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