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An APW Calculation for Silver
Author(s) -
Christensen N. E.
Publication year - 1969
Publication title -
physica status solidi (b)
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.51
H-Index - 109
eISSN - 1521-3951
pISSN - 0370-1972
DOI - 10.1002/pssb.19690310225
Subject(s) - cyclotron , wave function , atomic physics , atomic mass , tin , physics , condensed matter physics , electronic band structure , fermi surface , crystal (programming language) , many body theory , dirac (video compression format) , materials science , quantum mechanics , ion , metallurgy , superconductivity , computer science , neutrino , programming language
Various “muffin tin” potentials have been examined, and a potential leading to a band structure and a Fermi surface in agreement with experiments has been found. This potential is based on relativistic Dirac‐Slater atomic wave functions. In the atomic calculations as well as in the crystal calculations inclusion of full Slater exchange led to the best results. Cyclotron masses, thermal effective mass, optical mass, drift velocities, and group velocities have been calculated.