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Title:
Electronic stopping of protons for lithium in the dielectric formulation obtained from first-principles calculations
Authors:
Mathar, Richard J.; Sabin, John R.; Trickey, S. B.
Affiliation:
AA(Department of Physics, Quantum Theory Project, University of Florida, Gainesville, FL 32611-8435, USA), AB(Department of Physics, Quantum Theory Project, University of Florida, Gainesville, FL 32611-8435, USA), AC(Department of Physics, Quantum Theory Project, University of Florida, Gainesville, FL 32611-8435, USA)
Publication:
Nuclear Instruments and Methods in Physics Research Section B, Volume 155, Issue 3, p. 249-271.
Publication Date:
00/1999
Origin:
ELSEVIER
Keywords:
ELECTRONIC ENERGY LOSS, PROTONS, DIELECTRIC MATRIX, RPA
Abstract Copyright:
(c) 1999 Elsevier Science B.V. All rights reserved.
DOI:
10.1016/S0168-583X(99)00295-5
Bibliographic Code:
1999NIMPB.155..249M

Abstract

We calculate the wave-vector and frequency-dependent dielectric matrix of bulk crystals by use of first-principles, all-electron Kohn-Sham states in the integral of the irreducible polarizability in the random phase approximation. From this we determine the macroscopic ``head'' element, the (0,0)-element, of the inverse matrix (the energy loss function), and integrate over energy and momentum transfers to obtain the electronic energy loss of protons at low velocities. Numerical results are given for hexagonal close packed lithium.
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