Abstract
Abstract
The magnetic ground states of R
2Ru2O7 and A
2Ru2O7 with R = Pr, Gd, Ho, and Er, as well as A = Ca, Cd are predicted devising a combination of the cluster-multipole (CMP) theory and spin-density-functional theory (SDFT). The strong electronic correlation effects are estimated by the constrained-random-phase approximation (cRPA) and taken into account within the dynamical-mean-field theory (DMFT). The target compounds feature d-orbital magnetism on Ru4+ and Ru5+ ions for R and A, respectively, as well as f-orbital magnetism on the R site, which leads to an intriguing interplay of magnetic interactions in a strongly correlated system. We find CMP + SDFT is capable of describing the magnetic ground states in these compounds. The cRPA captures a difference in the screening strength between R
2Ru2O7 and A
2Ru2O7 compounds, which leads to a qualitative and quantitative understanding of the electronic properties within DMFT.
Funder
Ministry of Education, Culture, Sports, Science and Technology
Japan Society for the Promotion of Science
Subject
Condensed Matter Physics,General Materials Science
Cited by
3 articles.
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