Physical review. A, General physics · 1988 · 11 citations · 17 references
Natural SciencesPhysicsCondensed Matter PhysicsPhysical ChemistrySolid State PhysicsAb Initio MethodsElectron-phonon InteractionsElectronic Band StructureElectronic Structure Of SolidsInteratomic PotentialsPhase TransitionsEffective MassEffective Mass ApproximationElastic ConstantsLow-temperature Heat CapacityPair PotentialsPseudopotential ModelsPseudopotentialsStructure Factor Analysis
We study the experimental structure factor of liquid Pb using the modified hypernetted-chain equation. The dependence of the pair potential on the structural environment is related to the electron effective mass which changes discontinuously at the melting point while the pseudopotential remains invariant. A solid-phase pair potential derived from liquid-phase results gives good elastic constants, phonon data, and the low-temperature electronic specific heat, although based only on a local two-parameter pseudopotential.
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New empirical model for the structural properties of silicon
J. Tersoff · Physical Review Letters · 1986 · 1.4K citations
Interatomic Potentials for Silicon Structural Energies
R. Biswas, D. R. Hamann · Physical Review Letters · 1985 · 322 citations
Natural Sciences, Chemistry, Physics +15