Physical Review Letters · 1973 · 39 citations · 12 references
Natural SciencesMaterials SciencePhysicsCondensed Matter PhysicsCrystal StructureSolid State PhysicsCrystal ChemistryCrystallographyElectronic Band StructureElectronic Structure Of SolidsOptical Properties Of SolidsPhase TransitionsBand Structure CalculationBand Structure In Dielectric MediaBand TheoryBrillouin ZonesDielectric FunctionElectronic Band TheoryOptical Dielectric FunctionOptical Dielectric Response
The method of tight binding has been applied in a calculation of the imaginary part of the dielectric function, ${\ensuremath{\epsilon}}_{2}$, for a LiF crystal. The large variations of the transition matrix elements over portions of the Brillouin zone are found to have very pronounced effects on ${\ensuremath{\epsilon}}_{2}$. Our results suggest a possible reinterpretation of the experimental 13- and 62-eV optical structure as band-to-band, instead of excitonic, transitions.
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