TY  - JOUR
A1  - Hering, Max
A1  - Ferrari, Francesco
A1  - Razpopov, Aleksandar
A1  - Mazin, Igor I.
A1  - Valentí, Roser
A1  - Jeschke, Harald O.
A1  - Reuther, Johannes
T1  - Phase diagram of a distorted kagome antiferromagnet and application to Y-kapellasite
T2  - npj computational material
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 Jhexagon, 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 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.
Y1  - 2022
UR  - http://publikationen.ub.uni-frankfurt.de/frontdoor/index/index/docId/82475
UR  - https://nbn-resolving.org/urn:nbn:de:hebis:30:3-824752
SN  - 2057-3960
VL  - 8
IS  - 10
PB  - Nature Publ. Group
CY  - London
ER  -