Exchange Interactions Mediated by Nonmagnetic Cations in Double Perovskites
Loading...
Access rights
openAccess
publishedVersion
URL
Journal Title
Journal ISSN
Volume Title
A1 Alkuperäisartikkeli tieteellisessä aikakauslehdessä
This publication is imported from Aalto University research portal.
View publication in the Research portal (opens in new window)
View/Open full text file from the Research portal (opens in new window)
Other link related to publication (opens in new window)
View publication in the Research portal (opens in new window)
View/Open full text file from the Research portal (opens in new window)
Other link related to publication (opens in new window)
Date
Major/Subject
Mcode
Degree programme
Language
en
Pages
7
Series
Physical Review Letters, Volume 124, issue 7
Abstract
Establishing the physical mechanism governing exchange interactions is fundamental for exploring exotic phases such as quantum spin liquids in real materials. In this Letter, we address exchange interactions in Sr2CuTexW1-xO6, a series of double perovskites that realize a spin-1/2 square lattice and are suggested to harbor a quantum spin liquid ground state arising from the random distribution of nonmagnetic ions. Our ab initio multireference configuration interaction calculations show that replacing Te atoms with W atoms changes the dominant couplings from nearest to next-nearest neighbor due to the crucial role of unoccupied states of the nonmagnetic ions in the super-superexchange mechanism. Combined with spin-wave theory simulations, our calculated exchange couplings provide an excellent description of the inelastic neutron scattering spectra of the parent compounds, as well as explaining that the magnetic excitations in Sr2CuTe0.5W0.5O6 emerge from bond-disordered exchange couplings. Our results demonstrate the crucial role of the nonmagnetic cations in exchange interactions paving the way to further explore quantum spin liquid phases in bond-disordered materials.Description
Keywords
Other note
Citation
Katukuri, V M, Babkevich, P, Mustonen, O, Walker, H C, Fåk, B, Vasala, S, Karppinen, M, Rønnow, H M & Yazyev, O V 2020, 'Exchange Interactions Mediated by Nonmagnetic Cations in Double Perovskites', Physical Review Letters, vol. 124, no. 7, 077202. https://doi.org/10.1103/PhysRevLett.124.077202