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

Feldmaier T, Strobel P, Schmid M, Hansmann P, Daghofer M (2020)

Publication Type: Journal article

Publication year: 2020

Journal

Physical Review Research American Physical Society

Book Volume: 2

Journal Issue: 3

DOI: 10.1103/PhysRevResearch.2.033201

Abstract

Excitonic magnetism involving superpositions of singlet and triplet states is expected to arise for two holes in strongly correlated and spin-orbit-coupled t(2g) 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.

Authors with CRIS profile

Philipp Hansmann Professur für Theoretische Physik mit dem Schwerpunkt Molekulare Materialien

Involved external institutions

Universität Stuttgart DE Germany (DE)

How to cite

APA:

Feldmaier, T., Strobel, P., Schmid, M., Hansmann, P., & Daghofer, M. (2020). Excitonic magnetism at the intersection of spin-orbit coupling and crystal-field splitting. Physical Review Research, 2(3). https://doi.org/10.1103/PhysRevResearch.2.033201

MLA:

Feldmaier, Teresa, et al. "Excitonic magnetism at the intersection of spin-orbit coupling and crystal-field splitting." Physical Review Research 2.3 (2020).

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