First-principles calculations of the specific-heat mass enhancements in <math xmlns="http://www.w3.org/1998/Math/MathML" display="inline"><mrow><msub><mrow><mi mathvariant="normal">UIr</mi></mrow><mrow><mn>3</mn></mrow></msub></mrow></math>, <math xmlns="http://www.w3.org/1998/Math/MathML" display="inline"><mrow><msub><mrow><mi mathvariant="normal">UPt</mi></mrow><mrow><mn>3</mn></mrow></msub></mrow></math>, and <math xmlns="http://www.w3.org/1998/Math/MathML" display="inline"><mrow><msub><mrow><mi mathvariant="normal">UAu</mi></mrow><mrow><mn>3</mn></mrow></msub></mrow></math>

M. M. Steiner; R. C. Albers; L. J. Sham

doi:10.1103/PhysRevLett.72.2923

First-principles calculations of the specific-heat mass enhancements in ${UIr}_{3}$ , ${UPt}_{3}$ , and ${UAu}_{3}$

M. M. Steiner, R. C. Albers, and L. J. Sham

Phys. Rev. Lett. 72, 2923 – Published 2 May 1994

Abstract

By including dynamic fluctuations around the local-density-approximation (LDA) electronic structure we find good agreement for the specific-heat mass-enhancement factors for U $X_{3}$ (X=Ir, Pt, Au). The fluctuations, which are calculated through to second-order in the perturbation, are restricted to those caused by strong, local, uranium 5f electron-electron interactions, for which the calculated effective interaction strength is 2 eV. The strong material dependence of the second-order mass-enhancement factors is related to the composition dependence of the Fermi energy and the underlying one-electron LDA density of states.

Received 13 December 1993

DOI:https://doi.org/10.1103/PhysRevLett.72.2923

Authors & Affiliations

M. M. Steiner, R. C. Albers, and L. J. Sham

Theoretical Division, Los Alamos National Laboratory, Los Alamos, New Mexico 87545
Department of Physics, University of California at San Diego, La Jolla, California 92093-0319
Department of Physics, Ohio State University, Columbus, Ohio 43210-1106