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

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

作者机构：Helmholtz-Zentrum Berlin für Materialien und EnergieHahn-Meitner Platz 114109BerlinGermany Dahlem Center for Complex Quantum Systems and Fachbereich PhysikFreie Universität Berlin14195BerlinGermany Institute for Theoretical PhysicsGoethe University FrankfurtMax-von-Laue-Straße 160438Frankfurt am MainGermany Department of Physics and Astronomyand Quantum Science and Engineering CenterGeorge Mason UniversityFairfaxVA22030USA Research Institute for Interdisciplinary ScienceOkayama UniversityOkayama700-8530Japan 

出 版 物：《npj Computational Materials》 (计算材料学（英文）)

年 卷 期：2022年第8卷第1期

页      面：79-88页

核心收录：

学科分类：07[理学] 070201[理学-理论物理] 0702[理学-物理学] 

基　　金：F.F.acknowledges support from the Alexander von Humboldt Foundation through a postdoctoral Humboldt fellowship.A.R.,R.V.,and J.R.acknowledge support by the Deutsche Forschungsgemeinschaft(DFG,German Research Foundation)for funding through TRR 288-422213477(projects A05,B05)(A.R.and R.V.) CRC 183(project A04)(J.R.).I.I.M.acknowledges support from the U.S.Department of Energy through Grant no.DE-SC0021089 and from the Wilhelm and Else Heraeus Foundation 

主　　题：group distorted diagram 

摘      要：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 *** 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 *** further show with density functional theory calculations that the recently synthesized Y-kapellasite Y_(3)Cu_(9)(OH)_(19)C_(l8) 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 *** presented model opens a new direction in the study of kagome antiferromagnets.