226 research outputs found
Program LMTART for Electronic Structure Calculations
A computer program LMTART for electronic structure calculations using full
potential linear muffin-tin orbital method is describedComment: Review Article; To be published in Journal of Computational
Crystallograph
Scaling Between Periodic Anderson and Kondo Lattice Models
Continuous-Time Quantum Monte Carlo (CT-QMC) method combined with Dynamical
Mean Field Theory (DMFT) is used to calculate both Periodic Anderson Model
(PAM) and Kondo Lattice Model (KLM). Different parameter sets of both models
are connected by the Schrieffer-Wolff transformation. For degeneracy N=2, a
special particle-hole symmetric case of PAM at half filling which always fixes
one electron per impurity site is compared with the results of the KLM. We find
a good mapping between PAM and KLM in the limit of large on-site Hubbard
interaction U for different properties like self-energy, quasiparticle residue
and susceptibility. This allows us to extract quasiparticle mass
renormalizations for the f electrons directly from KLM. The method is further
applied to higher degenerate case and to realsitic heavy fermion system CeRhIn5
in which the estimate of the Sommerfeld coefficient is proven to be close to
the experimental value
Buckling and d-Wave Pairing in HiTc-Superconductors
We have investigated whether the electron-phonon interaction can support a
d-wave gap-anisotropy. On the basis of models derived from LDA calculations, as
well as LDA linear-response calculations we argue that this is the case, for
materials with buckled or dimpled CuO2 planes, for the so-called buckling
modes, which involve out-of-plane movements of the plane oxygens.Comment: 5pages, Latex2e, 6 Postscript figure
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