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On the Numerical Calculation of the Density of States and Related Properties
Author(s) -
Lehmann G.,
Taut M.
Publication year - 1972
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.2220540211
Subject(s) - brillouin zone , tetrahedron , quotient , histogram , function (biology) , dielectric , density of states , mathematical analysis , mathematics , energy (signal processing) , statistical physics , physics , condensed matter physics , geometry , image (mathematics) , quantum mechanics , computer science , pure mathematics , statistics , evolutionary biology , artificial intelligence , biology
A method is given for the numerical calculation of energy surface integrals within the Brillouin zone like density of states, conductivity, susceptibility, dielectric function etc. The Brillouin zone is divided into tetrahedrons in which the integrand is interpolated linearly. In this way the integration can be done analytically avoiding the histogram method. Several similar methods are discussed with regard to the quotient of accuracy and effort.