Energy Bands for Solid Argon
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Energy bands of the crystalline Argon have been calculated with a potentialbased upon the Ewalt potential by MS method. Effects of the virial theoreticalIIX were included in the core charge density. For the crystal, a was inccreased gradu-ally up to 1 in the course of the self-consistent energy band cat<:ulation. Thebest band gap is obtained with a=I. Electron affinity was impro','cd by about2 eV.
- 社団法人日本物理学会の論文
- 1980-12-15
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