
The orthogonalized plane wave method, in a perturbation approximation, is used to compute the lowest lying conduction states in (fcc) solid argon at the symmetry points GAMMA , X, L, and K. The 3s and 3p valence bands are treated by tight-binding theory. The potential used in the computation consists of a sum of effective atomic potentials in which a free-electron-like expression is used for the exchange contribution, The lowest conduction state appears to be s-like ( GAMMA /sub 1), lying 12.4 ev above the highest valence state ( GAMMA /sub 15). The results of the computation are compared with theoretical and experimental knowledge of the electronic structure of the solid rare gases, (auth)
mechanics of particles and systems
mechanics of particles and systems
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