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

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          Abstract

          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 \[J^{\prime}\] , and uncover a rich ground state phase diagram even at the classical level. Using analytical arguments and numerical techniques we identify a collinear \[\overrightarrow{Q}=0\] magnetic phase, two unusual non-collinear coplanar \[\overrightarrow{Q}=(1/3,1/3)\] 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 Y 3Cu 9(OH) 19Cl 8 is a realization of this model and predict its ground state to lie in the region of \[\overrightarrow{Q}=(1/3,1/3)\] 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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              Zur Elektronentheorie der Metalle. I

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                Author and article information

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                Journal
                npj Computational Materials
                npj Comput Mater
                Springer Science and Business Media LLC
                2057-3960
                December 2022
                January 20 2022
                December 2022
                : 8
                : 1
                Article
                10.1038/s41524-021-00689-0
                6992bdb2-df20-4db4-9261-aa6bb1edf172
                © 2022

                https://creativecommons.org/licenses/by/4.0

                https://creativecommons.org/licenses/by/4.0

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