Philosophical magazine · 1965 · 260 citations · 12 references
Natural SciencesMaterials SciencePhysicsCondensed Matter PhysicsMaterials PhysicsMetallic MaterialsDielectric MaterialsDielectric PropertiesElectric PotentialElectrical ConductivityIon-conducting MaterialsMetalsCharge LocalizationConductionDielectric ConstantDielectric ScreeningPseudopotentialsScreened Coulomb PotentialScreening EffectsScreening Potential
In metals, the electron potential is often modeled by dividing a bare ion pseudo‑potential by a dielectric constant, implicitly assuming the pseudo‑potential is local. The paper extends the theory to account for the non‑local nature of the pseudo‑potential. The authors perform numerical calculations using the Heine–Abarenkov model potential to implement the non‑local screening. The non‑local screening yields results that better match experiments than the local approximation, though the improvement is modest.
Abstract The potential seen by an electron in a metal is frequently set up by starting with the pseudo-potential or model potential of the bare ion, and dividing by a dielectric constant to take account of the screening of the conduction electrons. Such a procedure assumes that the pseudo-potential is a ‘local’ potential. But in reality the pseudo-potential is a non-local operator, and the theory is extended in the present paper to take this correctly into account. Numerical calculations have been made with the model potential of Heine and Abarenkov (1964). The results are in somewhat better agreement with experiments than those of the local screening approximation, but the difference between them is not as large as might have been expected.
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John Ziman, P. W. Levy · Physics Today · 1961 · 3.4K citations
John P. Hubbard · Proceedings of the Royal Society of London A Mathematical and Physical Sciences · 1958 · 781 citations
A new method for the electronic structure of metals
Volker Heine, I. V. Abarenkov · Philosophical magazine · 1964 · 776 citations