First-principles studies of the geometry and energetics of the Si 
                        36
                         cluster

Q. Sun; Q. Wang; P. Jena; S. Waterman; Yoshiyuki Kawazoe

First-principles studies of the geometry and energetics of the Si ₃₆ cluster

Q. Sun, Q. Wang, P. Jena, S. Waterman, Yoshiyuki Kawazoe

New Industry Creation Hatchery Center (NICHe)

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

42 Citations (Scopus)

Abstract

The first-principles studies of the geometry and energetics of the Si ₃₆ cluster were performed. Results showed that the tricapped-trigonal-prism unit is not the structural unit for Si ₃₆ , and the stable structure is identified to have a more spherical geometry derived from the stuffed fullerene configurations. The structure was more stable in energy and more spherical in shape as compared to those of TTP wire.

Original language	English
Article number	063201
Pages (from-to)	632011-632016
Number of pages	6
Journal	Physical Review A - Atomic, Molecular, and Optical Physics
Volume	67
Issue number	6
Publication status	Published - 2003 Jan 1

ASJC Scopus subject areas

Atomic and Molecular Physics, and Optics

Cite this

First-principles studies of the geometry and energetics of the Si ₃₆ cluster . / Sun, Q.; Wang, Q.; Jena, P.; Waterman, S.; Kawazoe, Yoshiyuki.

In: Physical Review A - Atomic, Molecular, and Optical Physics, Vol. 67, No. 6, 063201, 01.01.2003, p. 632011-632016.

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

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First-principles studies of the geometry and energetics of the Si ₃₆ cluster

Abstract

ASJC Scopus subject areas

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