%0 Journal Article %1 PhysRevB.100.144422 %A Yadav, Ravi %A Nishimoto, Satoshi %A Richter, Manuel %A van den Brink, Jeroen %A Ray, Rajyavardhan %D 2019 %I American Physical Society %J Phys. Rev. B %K a b %N 14 %P 144422 %R 10.1103/PhysRevB.100.144422 %T Large off-diagonal exchange couplings and spin liquid states in C$_3$-symmetric iridates %U https://link.aps.org/doi/10.1103/PhysRevB.100.144422 %V 100 %X Iridate oxides on a honeycomb lattice are considered promising candidates for realization of quantum spin liquid states. We investigate the magnetic couplings in a structural model for a honeycomb iridate K2IrO3, with C3 point-group symmetry at the Ir sites, which is an end member of the recently synthesized iridate family Kx IryO2. Using ab initio quantum chemical methods, we elucidate the subtle relationship between the real space symmetry and magnetic anisotropy and show that the higher point-group symmetry leads to high frustration with strong magnetic anisotropy driven by the unusually large off-diagonal exchange couplings (’s) as opposed to other spin-liquid candidates considered so far. Consequently, large quantum fluctuations imply lack of magnetic ordering consistent with the experiments. Exact diagonalization calculations for the fully anisotropic K-J- Hamiltonian reveal the importance of the off-diagonal anisotropic exchange couplings in stabilizing a spin liquid state and highlight an alternative route to stabilize spin liquid states for ferromagnetic K.

@article{PhysRevB.100.144422, abstract = {Iridate oxides on a honeycomb lattice are considered promising candidates for realization of quantum spin liquid states. We investigate the magnetic couplings in a structural model for a honeycomb iridate K2IrO3, with C3 point-group symmetry at the Ir sites, which is an end member of the recently synthesized iridate family Kx IryO2. Using ab initio quantum chemical methods, we elucidate the subtle relationship between the real space symmetry and magnetic anisotropy and show that the higher point-group symmetry leads to high frustration with strong magnetic anisotropy driven by the unusually large off-diagonal exchange couplings (’s) as opposed to other spin-liquid candidates considered so far. Consequently, large quantum fluctuations imply lack of magnetic ordering consistent with the experiments. Exact diagonalization calculations for the fully anisotropic K-J- Hamiltonian reveal the importance of the off-diagonal anisotropic exchange couplings in stabilizing a spin liquid state and highlight an alternative route to stabilize spin liquid states for ferromagnetic K.}, added-at = {2023-06-30T15:16:15.000+0200}, author = {Yadav, Ravi and Nishimoto, Satoshi and Richter, Manuel and van den Brink, Jeroen and Ray, Rajyavardhan}, biburl = {https://www.bibsonomy.org/bibtex/291f9a0f582baac9132180b46d199ae52/ctqmat}, day = 15, description = {Large off-diagonal exchange couplings and spin liquid states in C3-symmetric iridates}, doi = {10.1103/PhysRevB.100.144422}, interhash = {b0f9cfa452b5f8dc5d9d1aa127ebe1c0}, intrahash = {91f9a0f582baac9132180b46d199ae52}, journal = {Phys. Rev. B}, keywords = {a b}, month = {10}, number = 14, numpages = {10}, pages = 144422, publisher = {American Physical Society}, timestamp = {2023-10-20T10:02:10.000+0200}, title = {Large off-diagonal exchange couplings and spin liquid states in C$_{\mathbf{3}}$-symmetric iridates}, url = {https://link.aps.org/doi/10.1103/PhysRevB.100.144422}, volume = 100, year = 2019 }