On the possibility of excitonic magnetism in Ir double perovskites

0458951 - FZÚ 2017 RIV US eng J - Článek v odborném periodiku
Pajskr, K. - Novák, Pavel - Pokorný, Vladislav - Kolorenč, Jindřich - Arita, R. - Kuneš, Jan
On the possibility of excitonic magnetism in Ir double perovskites.
Physical Review. B. Roč. 93, č. 3 (2016), 1-6, č. článku 035129. ISSN 1098-0121
Grant CEP: GA ČR GA13-25251S
Institucionální podpora: RVO:68378271
Klíčová slova: spin-orbit coupling * double perovskite * excitonic magnetism
Kód oboru RIV: BM - Fyzika pevných látek a magnetismus
Impakt faktor: 3.736, rok: 2014

We combine several numerical and semianalytical methods to study the 5d double perovskites Sr2YIrO6 and Ba2YIrO6, which were recently proposed to exhibit excitonic magnetism. Starting from the density-functional theory and the constrained random-phase approximation, we construct effective multiband Hubbard models. These are analyzed by means of static and dynamical mean-field theories and strong-coupling expansion. We find both materials to be insulators, but, contrary to the experimental claims, with a large spin gap of several hundreds of meV preventing the formation of an ordered state at low temperature.

Trvalý link: http://hdl.handle.net/11104/0259157