6533b86efe1ef96bd12cc741

RESEARCH PRODUCT

Cluster-model density functional study of a W–Cu(100) STM junction

L LamareH. AouragJ.-p Dufour

subject

Chemistrychemistry.chemical_elementHeterojunctionGeneral ChemistryElectronic structureTungstenCondensed Matter PhysicsMolecular physicsTransition metalComputational chemistryDensity of statesCluster (physics)General Materials ScienceDensity functional theoryElectronic density

description

Abstract In this article, we investigate the electronic properties of different clusters modelling a tungsten tip, the Cu(1 0 0) surface and interacting W–Cu(1 0 0) systems in STM configuration. Electronic structure calculations are carried out within the LDA approximation of the Density Functional Theory (DFT). Both integrated (densities of states) and local properties (electronic density and electrostatic potential) are considered. The study is performed for top and hollow surface sites and two different tip–sample separations.

yearjournalcountryeditionlanguage
1999-05-01Journal of Physics and Chemistry of Solids
https://doi.org/10.1016/s0022-3697(98)00317-5