Stable position of a B12 cluster near the Si surface and its STM images

We conducted a first‐principles examination to determine the most stable position of an icosahedral B12 cluster near a Si(001) surface. We discovered that such a cluster is most stable when its center is located at the fourth layer position from the Si top surface where a Si dimer sits directly over...

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Bibliographic Details
Published inElectronics and communications in Japan Vol. 96; no. 2; pp. 50 - 56
Main Authors Ito, Shunsuke, Maruizumi, Takuya, Suwa, Yuji
Format Journal Article
LanguageEnglish
Published Hoboken Wiley Subscription Services, Inc., A Wiley Company 01.02.2013
Subjects
B12 cluster
Clusters
Dimers
Electric potential
Electronics
first-principles calculation
Scanning tunneling microscopy
Si surface
Silicon
STM image
Voltage
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Summary:We conducted a first‐principles examination to determine the most stable position of an icosahedral B12 cluster near a Si(001) surface. We discovered that such a cluster is most stable when its center is located at the fourth layer position from the Si top surface where a Si dimer sits directly overhead. Scanning tunneling microscopy (STM) simulation revealed that Si dimers above the B12 cluster are distinguishable from other dimers in STM images at low sample bias voltages. © 2013 Wiley Periodicals, Inc. Electron Comm Jpn, 96(2): 50–56, 2013; Published online in Wiley Online Library (wileyonlinelibrary.com). DOI 10.1002/ecj.10405
Bibliography:ArticleID:ECJ10405
MEXT (Ministry of Education, Culture, Sports, Science, and Technology, Japan) Supported Program for the Strategic Research Foundation at Private Universities, 2009-2013, and MEXT Grant-in-Aid for Scientific Research (C) (Grant No. 20560025).
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ISSN:1942-9533
1942-9541
DOI:10.1002/ecj.10405