Physical Review Letters · 2002 · 100 citations · 23 references
Natural SciencesMaterials SciencePhysicsCondensed Matter PhysicsMaterials PhysicsSolid State PhysicsAb Initio MethodsCurrent-voltage CharacteristicsDensity Functional TheoryElectrical ConductivityInterface PhysicsSurface PhysicsConductanceCurrent-voltage CharacterizationCurrent-voltage RelationsCurrent-voltage RelationshipFirst-principles ModelingInterfacial Electronic StructureValence Electron ConfigurationsValence Electron Structure
We present an experimental study of current-voltage (I-V) curves on atomic-sized Au and Pt contacts formed under cryogenic vacuum (4.2 K). Whereas I-V curves for Au are almost Ohmic, the conductance G=I/V for Pt decreases with increasing voltage, resulting in distinct nonlinear I-V behavior. The experimental results are compared with first principles density functional theory calculations for Au and Pt, and good agreement is found. The difference in conductance properties for Pt vs Au can be explained by the underlying electron valence structure: Pt has an open d shell while Au has not.
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The SIESTA method for<i>ab initio</i>order-<i>N</i>materials simulation
José M. Soler, Emilio Artacho, Julian D. Gale et al. · Journal of Physics Condensed Matter · 2002 · 11.8K citations · Full text
Natural Sciences, Chemistry, Physics +17
Density-functional method for nonequilibrium electron transport
Mads Brandbyge, José-Luís Mozos, Pablo Ordejón et al. · Physical review. B, Condensed matter · 2002 · 5.8K citations · Full text
Formation and manipulation of a metallic wire of single gold atoms