Sökning: WFRF:(Aryasetiawan Ferdi)
> (2015-2019) >
Renormalization of ...
Renormalization of effective interactions in a negative charge transfer insulator
-
- Seth, Priyanka (författare)
- University of Paris-Saclay,Institut de Physique Théorique
-
- Peil, Oleg E. (författare)
- University of Paris-Saclay,College de France,University of Geneva
-
- Pourovskii, Leonid (författare)
- University of Paris-Saclay,College de France
-
visa fler...
-
- Betzinger, Markus (författare)
- Jülich Research Centre
-
- Friedrich, Christoph (författare)
- Jülich Research Centre
-
- Parcollet, Olivier (författare)
- Institut de Physique Théorique
-
- Biermann, Silke (författare)
- University of Paris-Saclay
-
- Aryasetiawan, Ferdi (författare)
- Lund University,Lunds universitet,Matematisk fysik,Fysiska institutionen,Institutioner vid LTH,Lunds Tekniska Högskola,Mathematical Physics,Department of Physics,Departments at LTH,Faculty of Engineering, LTH
-
- Georges, Antoine (författare)
- University of Paris-Saclay,College de France,University of Geneva
-
visa färre...
-
(creator_code:org_t)
- 2017
- 2017
- Engelska.
-
Ingår i: Physical Review B. - 2469-9950. ; 96:20
- Relaterad länk:
-
http://dx.doi.org/10...
-
visa fler...
-
https://lup.lub.lu.s...
-
https://doi.org/10.1...
-
visa färre...
Abstract
Ämnesord
Stäng
- We compute from first principles the effective interaction parameters appropriate for a low-energy description of the rare-earth nickelate LuNiO3 involving the partially occupied eg states only. The calculation uses the constrained random-phase approximation and reveals that the effective on-site Coulomb repulsion is strongly reduced by screening effects involving the oxygen-p and nickel-t2g states. The long-range component of the effective low-energy interaction is also found to be sizable. As a result, the effective on-site interaction between parallel-spin electrons is reduced down to a small negative value. This validates effective low-energy theories of these materials that were proposed earlier. Electronic structure methods combined with dynamical mean-field theory are used to construct and solve an appropriate low-energy model and explore its phase diagram as a function of the on-site repulsion and Hund's coupling. For the calculated values of these effective interactions, we find that in agreement with experiments, LuNiO3 is a metal without disproportionation of the eg occupancy when considered in its orthorhombic structure, while the monoclinic phase is a disproportionated insulator.
Ämnesord
- NATURVETENSKAP -- Fysik -- Den kondenserade materiens fysik (hsv//swe)
- NATURAL SCIENCES -- Physical Sciences -- Condensed Matter Physics (hsv//eng)
Publikations- och innehållstyp
- art (ämneskategori)
- ref (ämneskategori)
Hitta via bibliotek
Till lärosätets databas