Physical Review · 1969 · 35 citations · 10 references
Natural SciencesMaterials SciencePhysicsCondensed Matter PhysicsMaterials PhysicsSolid State PhysicsAb Initio MethodsElectronic Band StructureOptical Properties Of SolidsPotential Energy SurfacesSurface PhysicsAb Initio Potential Energy SurfacesBand Structure CalculationBand TheoryEnergy Band GapEnergy Bands In CrystalsFermi SurfaceOptical TransitionsValence Band
Detailed energy bands and the Fermi surface are calculated for ordered $\ensuremath{\beta}$ brass. The starting potential is chosen in a more realistic manner than in previous calculations, and the Fermi surface obtained is more accurate. The predicted optical transitions, de Haas-van Alphen orbits, and open orbits are in excellent agreement with experiment.
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