Excitonic magnetism at the intersection of spin-orbit coupling and crystal-field splitting

Teresa Feldmaier, Pascal Strobel, Michael Schmid, Philipp Hansmann, Maria Daghofer

Research output: Contribution to journalArticlepeer-review

6 Citations (Scopus)

Abstract

Excitonic magnetism involving superpositions of singlet and triplet states is expected to arise for two holes in strongly correlated and spin-orbit-coupled t2g orbitals. However, uncontested material examples for its realization are rare. We apply the variational cluster approach to the square lattice to investigate excitonic antiferromagnetism and the impact of a crystal field. We give a phase diagram depending on spin-orbit coupling and crystal field and find excitonic magnetism to survive in the presence of substantial crystal-field-induced orbital order. We address the specific example of Ca2RuO4 using ab initio modeling and conclude it to realize such excitonic magnetism despite its pronounced orbital polarization. We also reproduce magnetic excitations and show the maximum at momentum (0,0) to be related to the excitonic character of the magnetic order.

Original languageEnglish
Article number033201
JournalPhysical Review Research
Volume2
Issue number3
DOIs
Publication statusPublished - 2020 Aug
Externally publishedYes

ASJC Scopus subject areas

  • Physics and Astronomy(all)

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