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

Journal Article · · Physical Review, B: Condensed Matter; (United States)
;  [1]
  1. Institut fuer Theoretische Physik, Johannes Kepler Universitaet Linz, A-4040 Linz-Auhof (Austria)

The quantum-mechanical version of the Singwi-Tosi-Land-Sjoelander (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 [ital q][approx]2.8 (in units of the Fermi wave vector) for small temperatures, which tends towards higher values of [ital q] with increasing temperature. This peak causes an attractive particle-hole interaction in a certain [ital 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.

OSTI ID:
6327439
Journal Information:
Physical Review, B: Condensed Matter; (United States), Vol. 48:4; ISSN 0163-1829
Country of Publication:
United States
Language:
English