TY - JOUR
T1 - Phase diagram of a distorted kagome antiferromagnet and application to Y-kapellasite
AU - Hering, Max
AU - Ferrari, Francesco
AU - Razpopov, Aleksandar
AU - Mazin, Igor I.
AU - Valentí, Roser
AU - Jeschke, Harald O.
AU - Reuther, Johannes
N1 - Funding Information:
We thank Q. Barthélemy, F. Bert, T. Biesner, M. Dressel, E. Kermarrec, P. Mendels, P. Puphal, and S. Roh for useful discussions. F.F. acknowledges support from the Alexander von Humboldt Foundation through a postdoctoral Humboldt fellowship. A.R., R.V., and J.R. acknowledge support by the Deutsche Forschungsgemeinschaft (DFG, German Research Foundation) for funding through TRR 288—422213477 (projects A05, B05) (A.R. and R.V.) and CRC 183 (project A04) (J.R.). I.I.M. acknowledges support from the U.S. Department of Energy through Grant no. DE-SC0021089 and from the Wilhelm and Else Heraeus Foundation.
Publisher Copyright:
© 2022, The Author(s).
PY - 2022/12
Y1 - 2022/12
N2 - We investigate the magnetism of a previously unexplored distorted spin-1/2 kagome model consisting of three symmetry-inequivalent nearest-neighbor antiferromagnetic Heisenberg couplings J⬡, J, and J′, and uncover a rich ground state phase diagram even at the classical level. Using analytical arguments and numerical techniques we identify a collinear Q→ = 0 magnetic phase, two unusual non-collinear coplanar Q→ = (1 / 3 , 1 / 3) phases and a classical spin liquid phase with a degenerate manifold of non-coplanar ground states, resembling the jammed spin liquid phase found in the context of a bond-disordered kagome antiferromagnet. We further show with density functional theory calculations that the recently synthesized Y-kapellasite Y3Cu9(OH)19Cl8 is a realization of this model and predict its ground state to lie in the region of Q→ = (1 / 3 , 1 / 3) order, which remains stable even after the inclusion of quantum fluctuation effects within variational Monte Carlo and pseudofermion functional renormalization group. The presented model opens a new direction in the study of kagome antiferromagnets.
AB - We investigate the magnetism of a previously unexplored distorted spin-1/2 kagome model consisting of three symmetry-inequivalent nearest-neighbor antiferromagnetic Heisenberg couplings J⬡, J, and J′, and uncover a rich ground state phase diagram even at the classical level. Using analytical arguments and numerical techniques we identify a collinear Q→ = 0 magnetic phase, two unusual non-collinear coplanar Q→ = (1 / 3 , 1 / 3) phases and a classical spin liquid phase with a degenerate manifold of non-coplanar ground states, resembling the jammed spin liquid phase found in the context of a bond-disordered kagome antiferromagnet. We further show with density functional theory calculations that the recently synthesized Y-kapellasite Y3Cu9(OH)19Cl8 is a realization of this model and predict its ground state to lie in the region of Q→ = (1 / 3 , 1 / 3) order, which remains stable even after the inclusion of quantum fluctuation effects within variational Monte Carlo and pseudofermion functional renormalization group. The presented model opens a new direction in the study of kagome antiferromagnets.
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U2 - 10.1038/s41524-021-00689-0
DO - 10.1038/s41524-021-00689-0
M3 - Article
AN - SCOPUS:85123253115
SN - 2057-3960
VL - 8
JO - npj Computational Materials
JF - npj Computational Materials
IS - 1
M1 - 10
ER -