Charge densities and interionic potentials in simple metals: Nonlinear effects. II

L. Dagens, Mark Rasolt, and Roger Taylor
Phys. Rev. B 11, 2726 – Published 15 April 1975
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Abstract

We present nonlinear self-consistent calculations of the charge density induced by isolated Li+, K+, Mg++, Al+++, and Ca++ ions when placed in an electron gas of the appropriate metallic density. By comparison with linear-response theory we show that in the first four metals nonlinear effects in the response of the conduction electrons to the ionic perturbations play an important role in determining the charge density and the interionic potential. However as in the case of Na studied in the previous paper these nonlinear effects can be simulated by using a suitably adjusted model potential. The calculated phonon dispersion curves for Li, K, and Al agree very well with experiment. Nonlinear effects are also very likely to be important in Ca but further work is necessary before conclusions can be drawn.

  • Received 24 June 1974

DOI:https://doi.org/10.1103/PhysRevB.11.2726

©1975 American Physical Society

Authors & Affiliations

L. Dagens

  • C.E.A., Centre d'Etudes de Limeil, BP No. 27, 94 Villeneuve St. Georges, France

Mark Rasolt

  • Department of Physics, University of Toronto, Toronto, Canada M5S 1A7

Roger Taylor*

  • Theoretical Physics Division, A.E.R.E. Harwell, Didcot, Oxon, England

  • *Permanent address: Physics Division, National Research Council, Ottawa, Canada K1A OR6.

See Also

Charge densities and interionic potentials in simple metals: Nonlinear effects. I

Mark Rasolt and Roger Taylor
Phys. Rev. B 11, 2717 (1975)

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Vol. 11, Iss. 8 — 15 April 1975

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