We investigate the magnetism of a previously unexplored distorted spin-1/2 kagome model consisting of three symmetryinequivalent nearest-neighbor antiferromagnetic Heisenberg couplings J(O), 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) over right arrow = 0 magnetic phase, two unusual non-collinear coplanar (Q) over right arrow = (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)(19)Cl-8 is a realization of this model and predict its ground state to lie in the region of (Q) over right arrow = (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.

Phase diagram of a distorted kagome antiferromagnet and application to Y-kapellasite / Hering, Max; Ferrari, Francesco; Razpopov, Aleksandar; Mazin, Igor I.; Valentí, Roser; Jeschke, Harald O.; Reuther, Johannes. - In: NPJ COMPUTATIONAL MATERIALS. - ISSN 2057-3960. - 8:1(2022), pp. 1-10. [10.1038/s41524-021-00689-0]

Phase diagram of a distorted kagome antiferromagnet and application to Y-kapellasite

Ferrari, Francesco;
2022-01-01

Abstract

We investigate the magnetism of a previously unexplored distorted spin-1/2 kagome model consisting of three symmetryinequivalent nearest-neighbor antiferromagnetic Heisenberg couplings J(O), 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) over right arrow = 0 magnetic phase, two unusual non-collinear coplanar (Q) over right arrow = (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)(19)Cl-8 is a realization of this model and predict its ground state to lie in the region of (Q) over right arrow = (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.
2022
8
1
1
10
https://doi.org/10.1038/s41524-021-00689-0
https://arxiv.org/abs/2107.13570
Hering, Max; Ferrari, Francesco; Razpopov, Aleksandar; Mazin, Igor I.; Valentí, Roser; Jeschke, Harald O.; Reuther, Johannes
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Utilizza questo identificativo per citare o creare un link a questo documento: https://hdl.handle.net/20.500.11767/142454
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