Electronic properties of transition-metal-atom doped Si cage clusters |
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| Authors: | T Miyazaki H Hiura and T Kanayama |
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| Institution: | (1) Advanced Semiconductor Research Center (ASRC) of the National Institute of Advanced Industrial Science and Technology (AIST), AIST Tsukuba Central 4, Tsukuba 305-8568, Japan;(2) Association of Super-Advanced Electronics Technologies (ASET), AIST Tsukuba Central 4, Tsukuba 305-8568, Japan |
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| Abstract: | We present a density-functional study of electronic
structures of convex-caged Si clusters doped with
transition-metal (TM) atoms. First, we show the reason for their
peculiar geometries in terms of interplay among the electron
orbitals of Si and TM atoms. Then we describe the potential
ability of the clusters to serve as charge sources to other
objects such as Si crystal surfaces. Millennium
Research for Advanced Information Technology (MIRAI)
Project. |
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| Keywords: | 61 46 +w Nanoscale materials: clusters nanoparticles nanotubes and nanocrystals 36 40 Cg Electronic
and magnetic properties of clusters |
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