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

Max Hering, Francesco Ferrari, Aleksandar Razpopov, Igor I. Mazin, Roser Valentí, Harald O. Jeschke, Johannes Reuther

Research output: Contribution to journalArticlepeer-review

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, 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.

Original languageEnglish
Article number10
Journalnpj Computational Materials
Volume8
Issue number1
DOIs
Publication statusPublished - Dec 2022

ASJC Scopus subject areas

  • Modelling and Simulation
  • Materials Science(all)
  • Mechanics of Materials
  • Computer Science Applications

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