Bulletin of the American Physical Society
APS March Meeting 2022
Volume 67, Number 3
Monday–Friday, March 14–18, 2022; Chicago
Session M63: Heavy Fermions II
8:00 AM–10:48 AM,
Wednesday, March 16, 2022
Room: Hyatt Regency Hotel -Grant Park A
Sponsoring
Unit:
DCMP
Chair: John Singleton, NHMFL/ LANL
Abstract: M63.00012 : A DFT + DMFT study of the two-channel quadrupolar Kondo effect in PrV2Al20*
10:12 AM–10:24 AM
Presenter:
Marvin Lenk
(Physikalisches Institut & Bethe Center for Theoretical Physics, Universität Bonn, Germany)
Authors:
Marvin Lenk
(Physikalisches Institut & Bethe Center for Theoretical Physics, Universität Bonn, Germany)
Fei Gao
(Department of Physics and Astronomy, Rice University, Houston, Texas 77005, USA)
Johann Kroha
(Physikalisches Institut & Bethe Center for Theoretical Physics, Universität Bonn, Germany)
Andriy H Nevidomskyy
(Department of Physics and Astronomy, Rice University, Houston, Texas 77005, USA)
We develop a dynamical mean-field theory (DMFT) with a non-crossing approximation (NCA) local impurity solver, that is able to faithfully capture the exotic two-channel Kondo physics in this class of materials, including a momentum-dependent hybridization. This method is then combined with a density functional theory (DFT) calculation, allowing us to quantitatively compare the results to experimental data down to the Kondo regime. Within this approximation, we calculate several temperature dependent quantities: density of states, band structure and magnetic susceptibility.
[1] For review, see: T. Onimaru and H. Kusunose, J. Phys. Soc. Jpn. 85, 082002 (2016)
*M. L. and J. K. acknowledge financial support by the Deutsche Forschungsgemeinschaft (DFG) within the Cooperative Research Center SFB/TR 185 (277625399) and the Cluster of Excellence ML4Q (390534769).F. G. and A. H. N. were supported by the National Science Foundation Division of Materials Research Award DMR-1917511 and by Robert A. Welch Foundation grant C-1818.
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