A computational algorithm for densities of states

Aaron B. Budgor and Giles Peterson
Phys. Rev. B 20, 4847 – Published 15 December 1979
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Abstract

In this article we introduce the differential-area method for producing accurate phonon or electron density-of-states spectra. Its inherent advantages are that (1) the energy or frequency variable can be preset to any desired interval range; (2) no root-searching or gradient computations are required; (3) it is independent of any force model employed in deriving the matrix elements of a phonon-dynamical or electron-connectivity matrix; and (4) its numerical algorithm is totally crystal-symmetry independent. Model density-of-phonon-states calculations are performed for the next-nearest-neighbor cubic lattices and compared to an exact technique, the root surface method.

  • Received 13 March 1978

DOI:https://doi.org/10.1103/PhysRevB.20.4847

©1979 American Physical Society

Authors & Affiliations

Aaron B. Budgor and Giles Peterson

  • Lawrence Livermore Laboratory, University of California, Livermore, California 94550

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Issue

Vol. 20, Iss. 12 — 15 December 1979

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