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TiSi 2 nanostructures – enhanced conductivity at nanoscale?
Author(s) -
Enyashin Andrey N.,
Gemming Sibylle
Publication year - 2007
Publication title -
physica status solidi (b)
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.51
H-Index - 109
eISSN - 1521-3951
pISSN - 0370-1972
DOI - 10.1002/pssb.200743109
Subject(s) - materials science , nanoscopic scale , monolayer , conductivity , nanostructure , fermi level , tight binding , nanotechnology , density of states , structural stability , electronic structure , condensed matter physics , chemistry , computational chemistry , physics , structural engineering , quantum mechanics , engineering , electron
Abstract The structural properties, the stability and the electronic properties of the nanotubes of titanium disilicide are studied using the density‐functional‐based tight‐binding method (DFTB) and compared with ones of the bulk and monolayered TiSi 2 . These nanotubes were found to be more stable, than a TiSi 2 monolayer. All low‐dimensional TiSi 2 systems are metallic with enhanced densities of Ti 3d‐states at the Fermi level. (© 2007 WILEY‐VCH Verlag GmbH & Co. KGaA, Weinheim)