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On the Screening of the Ions in Solids. Band Structure Calculations of Si with Several Screening Variants
Author(s) -
Pasemann L.
Publication year - 1978
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.2220870219
Subject(s) - pseudopotential , ionic bonding , ion , electronic band structure , matrix (chemical analysis) , diagonal , fermi level , materials science , physics , condensed matter physics , atomic physics , chemistry , quantum mechanics , mathematics , geometry , composite material , electron
By using the approach for the Dirac density matrix of a perturbed Fermi gas given by March et al. the complete screening matrix is derived. Furthermore, band calculations of Si are performed using the non‐diagonally screened pseudopotential in second order in the ionic potential, and the diagonally screened pseudopotential in third order in the ionic potential, respectively.