https://doi.org/10.1140/epjd/e2003-00121-x
Electronic properties of transition-metal-atom doped Si cage clusters*
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
Corresponding author: a This email address is being protected from spambots. You need JavaScript enabled to view it.
Received:
10
September
2002
Published online:
3
July
2003
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.
PACS: 61.46.+w – Nanoscale materials: clusters, nanoparticles, nanotubes, and nanocrystals / 36.40.Cg – Electronic and magnetic properties of clusters
Millennium Research for Advanced Information Technology (MIRAI) Project.
© EDP Sciences, Società Italiana di Fisica, Springer-Verlag, 2003
