2015Physical Review BOpen access

Kitaev magnetism in honeycomb RuCl3 with intermediate spin-orbit coupling

Heung‐Sik Kim, V. Vijay, Andrei Catuneanu, Hae‐Young Kee

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Abstract

Intensive studies of the interplay between spin-orbit coupling (SOC) and electronic correlations in transition-metal compounds have recently been undertaken. In particular, ${j}_{\mathrm{eff}}=1/2$ bands on a honeycomb lattice provide a pathway to realize Kitaev's exactly solvable spin model. However, since current wisdom requires strong atomic SOC to make ${j}_{\mathrm{eff}}=1/2$ bands, studies have been limited to iridium oxides. Contrary to this expectation, we demonstrate how Kitaev interactions arise in $4d$-orbital honeycomb $\ensuremath{\alpha}\text{\ensuremath{-}}{\mathrm{RuCl}}_{3}$, despite having significantly weaker SOC than the iridium oxides, via assistance from electron correlations. A strong-coupling spin model for these correlation-assisted ${j}_{\mathrm{eff}}=1/2$ bands is derived, in which large antiferromagnetic Kitaev interactions emerge along with ferromagnetic Heisenberg interactions. Our analyses suggest that the ground state is a zigzag-ordered phase lying close to the antiferromagnetic Kitaev spin liquid. Experimental implications for angle-resolved photoemission spectroscopy, neutron scattering, and optical conductivities are discussed.

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Intensive studies of the interplay between spin-orbit coupling (SOC) and electronic correlations in transition-metal compounds have recently been undertaken. In particular, ${j}_{\mathrm{eff}}=1/2$ bands on a honeycomb lattice provide a pathway to realize Kitaev's exactly solvable spin model. However, since current wisdom requires strong atomic SOC to make ${j}_{\mathrm{eff}}=1/2$ bands, studies have been limited to iridium oxides. Contrary to this expectation, we demonstrate how Kitaev interactions arise in $4d$-orbital honeycomb $\ensuremath{\alpha}\text{\ensuremath{-}}{\mathrm{RuCl}}_{3}$, despite having significantly weaker SOC than the iridium oxides, via assistance from electron correlations. A strong-coupling spin model for these correlation-assisted ${j}_{\mathrm{eff}}=1/2$ bands is derived, in which large antiferromagnetic Kitaev interactions emerge along with ferromagnetic Heisenberg interactions. Our analyses suggest that the ground state is a zigzag-ordered phase lying close to the antiferromagnetic Kitaev spin liquid. Experimental implications for angle-resolved photoemission spectroscopy, neutron scattering, and optical conductivities are discussed.

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Available abstract

Intensive studies of the interplay between spin-orbit coupling (SOC) and electronic correlations in transition-metal compounds have recently been undertaken. In particular, ${j}_{\mathrm{eff}}=1/2$ bands on a honeycomb lattice provide a pathway to realize Kitaev's exactly solvable spin model. However, since current wisdom requires strong atomic SOC to make ${j}_{\mathrm{eff}}=1/2$ bands, studies have been limited to iridium oxides. Contrary to this expectation, we demonstrate how Kitaev interactions arise in $4d$-orbital honeycomb $\ensuremath{\alpha}\text{\ensuremath{-}}{\mathrm{RuCl}}_{3}$, despite having significantly weaker SOC than the iridium oxides, via assistance from electron correlations. A strong-coupling spin model for these correlation-assisted ${j}_{\mathrm{eff}}=1/2$ bands is derived, in which large antiferromagnetic Kitaev interactions emerge along with ferromagnetic Heisenberg interactions. Our analyses suggest that the ground state is a zigzag-ordered phase lying close to the antiferromagnetic Kitaev spin liquid. Experimental implications for angle-resolved photoemission spectroscopy, neutron scattering, and optical conductivities are discussed.

Key concepts: Magnetism, Computer science, Physics, Condensed matter physics

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