Journal of Physics Condensed Matter · 1999 · 18 citations · 14 references
Natural SciencesMaterials SciencePhysicsCondensed Matter PhysicsMaterials PhysicsThin FilmsHydrogen AtomStrain EngineeringSurface PhysicsThin Film DiffusionThin-film MaterialsBiaxial StrainBinding Free EnergyCompressive StrainSolution-diffusion ModelSuperlatticesSurface LayersThermodynamics Of Thin FilmsTransport In Thin Films
The hydrogen uptake of asymmetric Fe/V (001) superlattices with LFe/LV = 3/16 monolayers and 3/10 monolayers was investigated by resistometric methods. The hydrogen distribution and the enthalpy of solution were simulated using a diffusion model and calculated H-H interaction energies. It was found that the strain state of the V lattice strongly influenced the H-H interaction. The hydrogen-depleted interface region in the V layers was populated at lower concentrations than in previously studied symmetric samples, which implied that the energy difference between interior and interface regions was lowered. The V-H binding energy was found to be up to 60 meV higher than in the symmetric superlattices.
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Self-Consistent Equations Including Exchange and Correlation Effects
W. Kohn, L. J. Sham · Physical Review · 1965 · 63.2K citations · Full text
OK Andersen · Physical review. B, Solid state · 1975 · 6.5K citations · Full text
Jens K. Nørskov · Physical review. B, Condensed matter · 1982 · 464 citations
Natural Sciences, Chemistry, Physics +17