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

Author:

Hering MaxORCID,Ferrari FrancescoORCID,Razpopov Aleksandar,Mazin Igor I.ORCID,Valentí Roser,Jeschke Harald O.ORCID,Reuther Johannes

Abstract

AbstractWe 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 $$J^{\prime}$$ J , and uncover a rich ground state phase diagram even at the classical level. Using analytical arguments and numerical techniques we identify a collinear $$\overrightarrow{Q}=0$$ Q = 0 magnetic phase, two unusual non-collinear coplanar $$\overrightarrow{Q}=(1/3,1/3)$$ 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 $$\overrightarrow{Q}=(1/3,1/3)$$ 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.

Funder

Alexander von Humboldt-Stiftung

Deutsche Forschungsgemeinschaft

DOE | SC | Basic Energy Sciences

Wilhelm und Else Heraeus-Stiftung

Publisher

Springer Science and Business Media LLC

Subject

Computer Science Applications,Mechanics of Materials,General Materials Science,Modeling and Simulation

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