Unique Crystal Structure of Ca2RuO4 in the Current Stabilized Semimetallic State

Bertinshaw, J.; Gurung, N.; Jorba, P.; Liu, H.; Schmid, M.; Mantadakis, D. T.; Daghofer, M.; Krautloher, M.; Jain, A.; Ryu, G. H.; Fabelo, O.; Hansmann, P.; Khaliullin, G.; Pfleiderer, C.; Keimer, B.; Kim, B. J.

doi:10.1103/PhysRevLett.123.137204

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Unique Crystal Structure of Ca₂RuO₄ in the Current Stabilized Semimetallic State

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Hansmann, P.
Physics of Correlated Matter, Max Planck Institute for Chemical Physics of Solids, Max Planck Society;

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Citation

Bertinshaw, J., Gurung, N., Jorba, P., Liu, H., Schmid, M., Mantadakis, D. T., et al. (2019). Unique Crystal Structure of Ca₂RuO₄ in the Current Stabilized Semimetallic State. Physical Review Letters, 123(13): 137204, pp. 1-6. doi:10.1103/PhysRevLett.123.137204.

Cite as: https://hdl.handle.net/21.11116/0000-0005-1BA3-5

Abstract

The electric-current stabilized semimetallic state in the quasi-two-dimensional Mott insulator Ca2RuO4 exhibits an exceptionally strong diamagnetism. Through a comprehensive study using neutron and x-ray diffraction, we show that this nonequilibrium phase assumes a crystal structure distinct from those of equilibrium metallic phases realized in the ruthenates by chemical doping, high pressure, and epitaxial strain, which in turn leads to a distinct electronic band structure. Dynamical mean field theory calculations based on the crystallographically refined atomic coordinates and realistic Coulomb repulsion parameters indicate a semimetallic state with partially gapped Fermi surface. Our neutron diffraction data show that the nonequilibrium behavior is homogeneous, with antiferromagnetic long-range order completely suppressed. These results provide a new basis for theoretical work on the origin of the unusual nonequilibrium diamagnetism in Ca2RuO4.