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Theoretical Study of Si-Rich Transition-Metal Silicides with Double-Graphene-Like Structures

Published online by Cambridge University Press:  01 February 2011

Takehide Miyazaki  and
Toshihiko Kanayama
Takehide Miyazaki
Affiliation:
takehide.miyazaki@aist.go.jp, AIST, RICS, Umezono 1-1-1, Tsukuba, 305-8568, Japan
Toshihiko Kanayama
Affiliation:
kanayama.t@aist.go.jp, National Institute for Advanced Industrial Science and Technology, Advanced Semiconductor Research Center, AIST Tsukuba West 7,, Onogawa 16-1, Tsukuba, 305-8569, Japan
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Abstract

We propose a novel form of graphene-like Si nanostructure based on ab initio total-energy calculation and geometry optimization, (MSi12)n, with M being transition metal atom. It has a three-layer structure, where the two layers of Si atoms in graphene-like positions sandwich another layer of transition metal atoms. The electronic structure may become semiconducting or metallic, depending on the choice of M and arrangement of Si atoms. This hypothetical material can be regarded as a Si-rich phase of transition metal silicide. A potential impact of our finding in forthcoming ultra-scaled Si technology is also discussed.

Keywords

Sinanostructureelectronic structure
Type
Research Article
Information
MRS Online Proceedings Library (OPL) , Volume 958: Symposium L – Group IV Semiconductor Nanostructures—2006 , 2006 , 0958-L01-07
Copyright
Copyright © Materials Research Society 2007

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References

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