Finite-temperature electron correlations in the framework of a dynamic local-field correction

Herwig K. Schweng and Helga M. Böhm
Phys. Rev. B 48, 2037 – Published 15 July 1993
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Abstract

The quantum-mechanical version of the Singwi-Tosi-Land-Sjölander (STLS) approximation is applied to finite temperatures. This approximation has two main advantages. First, it includes a dynamic local-field correction and second, it gives positive values for the pair-distribution function in the short-range region at zero temperature. This is even valid for rather low densities. After a description of the numerical difficulties arising with the use of a dynamic approximation, the results for the static-structure factor and the pair-distribution function are discussed thoroughly. Detailed work is performed on the static part of the local-field correction, with special emphasis put on the investigation of its structure. A peak is found at a wave vector q≊2.8 (in units of the Fermi wave vector) for small temperatures, which tends towards higher values of q with increasing temperature. This peak causes an attractive particle-hole interaction in a certain q region and thus gives rise to the appearance of a charge-density wave. A parametric description is given for the static local-field correction in order to simplify further applications. Furthermore, the exchange-and-correlation free energy is considered. The results are compared with the STLS results and with the modified convolution approach.

  • Received 16 November 1992

DOI:https://doi.org/10.1103/PhysRevB.48.2037

©1993 American Physical Society

Authors & Affiliations

Herwig K. Schweng and Helga M. Böhm

  • Institut für Theoretische Physik, Johannes Kepler Universität Linz, A-4040 Linz-Auhof, Austria

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Issue

Vol. 48, Iss. 4 — 15 July 1993

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