The use of electron-atom scattering phase shifts in conduction-band calculations: Application to solid argon

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Published under licence by IOP Publishing Ltd
, , Citation N Erre and R Resta 1976 J. Phys. C: Solid State Phys. 9 2313 DOI 10.1088/0022-3719/9/12/014

0022-3719/9/12/2313

Abstract

Investigates the possibility of using phase shifts calculated for electron-atom scattering in performing a band-structure calculation in the solid. No explicit determination of the atomic potential is needed in the augmented plane wave method, because matrix elements can be directly related to the phase shifts. Conduction bands have been calculated for solid argon, and a comparison with other existing calculations is made.

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10.1088/0022-3719/9/12/014