Publication detail
A peculiar bonding of sulphur at the Nb(001) surface
HÜGER, E. ZELENÝ, M. KÁŇA, T. OSUCH, K. ŠOB, M.
English title
A peculiar bonding of sulphur at the Nb(001) surface
Type
journal article - other
Language
en
Original abstract
The morphological, crystallographical and electronic structure of a well-ordered pseudomorphic sulphur monolayer (S ML) bonded at the (001) surface of a niobium substrate was investigated experimentally and theoretically. The system exhibits strong sulphur-niobium bonds with fourfold symmetry which do not exist in bulk niobium chalcogenides. These bonds enhance the localization of occupied bands near the Fermi energy in two Nb MLs under the SML and, due to changed symmetry and stoichiometry, push the p-states of the SML to deeper binding energies as compared to Nb chalcogenides. The SML shows strong iono-covalent bonding to Nb(001) with bonding states mainly due to S-3p and antibonding states due to Nb-4d orbitals.
English abstract
The morphological, crystallographical and electronic structure of a well-ordered pseudomorphic sulphur monolayer (S ML) bonded at the (001) surface of a niobium substrate was investigated experimentally and theoretically. The system exhibits strong sulphur-niobium bonds with fourfold symmetry which do not exist in bulk niobium chalcogenides. These bonds enhance the localization of occupied bands near the Fermi energy in two Nb MLs under the SML and, due to changed symmetry and stoichiometry, push the p-states of the SML to deeper binding energies as compared to Nb chalcogenides. The SML shows strong iono-covalent bonding to Nb(001) with bonding states mainly due to S-3p and antibonding states due to Nb-4d orbitals.
Released
20.06.2008
ISSN
1286-4854
Volume
83
Number
2
Pages count
6
BIBTEX
@article{BUT102929,
author="Martin {Zelený},
title="A peculiar bonding of sulphur at the Nb(001) surface",
year="2008",
volume="83",
number="2",
month="June",
issn="1286-4854"
}