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Electronic properties of superconducting NbSe 2 nanotubes
Author(s) -
Ivanovskaya V. V.,
Enyashin A. N.,
Medvedeva N. I.,
Ivanovskii A. L.
Publication year - 2003
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.200309007
Subject(s) - superconductivity , zigzag , covalent bond , condensed matter physics , fermi level , electronic structure , materials science , density of states , physics , quantum mechanics , mathematics , geometry , electron
Atomic models of zigzag ( n ,0)‐ and armchair ( n , n )‐like nanotubes ( n = 7–58) of the superconducting NbSe 2 are constructed and their electronic properties and bond indices are investigated using the tight‐binding band theory. The calculations performed show that all the considered NTs are uniformly metallic‐like. The density of states at the Fermi level contains a considerable contribution from Nb4d states, which will be significant for the superconductivity. The stability and electronic properties of the NbSe 2 NTs depend on the atomic configuration and diameter of the tubes. Nb—Se covalent bonds were found as basic in NbSe 2 tubes. According to our estimations, z igzag ‐like configurations of the NbSe 2 nanotubes are more stable.