Electronic properties of transition-metal-atom doped Si cage clusters |
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| Authors: | T. Miyazaki H. Hiura T. Kanayama |
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| Affiliation: | (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 electronicstructures of convex-caged Si clusters doped withtransition-metal (TM) atoms. First, we show the reason for theirpeculiar geometries in terms of interplay among the electronorbitals of Si and TM atoms. Then we describe the potentialability of the clusters to serve as charge sources to otherobjects such as Si crystal surfaces. MillenniumResearch for Advanced Information Technology (MIRAI)Project. |
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| Keywords: | 61.46.+w Nanoscale materials: clusters,nanoparticles, nanotubes, and nanocrystals 36.40.Cg Electronicand magnetic properties of clusters |
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