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On the Numerical Calculation of the Density of States and Related Properties

physica status solidi (b) · 1972 · Vol. 54(2) · pp. 469–477

G. Lehmann✉(Leibniz Institute for Solid State and Materials Research)M. Taut(TU Dresden)

Abstract

Abstract 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.

Advanced Physical and Chemical Molecular Interactions Advanced Materials and Semiconductor Technologies Quantum Mechanics and Non-Hermitian PhysicsBrillouin zoneTetrahedronQuotientHistogramFunction (biology)DielectricDensity of statesMathematical analysisMathematicsEnergy (signal processing)

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