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

npj Computational Materials 2022年第1期8卷 79-88页

作者： Max Hering Francesco Ferrari Aleksandar Razpopov Igor I.Mazin roser valentí Harald O.Jeschke Johannes Reuther Helmholtz-Zentrum Berlin für Materialien und Energie Hahn-Meitner Platz 114109BerlinGermany Dahlem Center for Complex Quantum Systems and Fachbereich Physik Freie Universität Berlin14195BerlinGermany Institute for Theoretical Physics Goethe University FrankfurtMax-von-Laue-Straße 160438Frankfurt am MainGermany Department of Physics and Astronomy and Quantum Science and Engineering CenterGeorge Mason UniversityFairfaxVA22030USA Research Institute for Interdisciplinary Science Okayama UniversityOkayama700-8530Japan

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.

关键词： group distorted diagram

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Statistical learning of engineered topological phases in the kagome superlattice of AV_(3)Sb_(5)

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npj Computational Materials 2022年第1期8卷 624-629页

作者： Thomas Mertz Paul Wunderlich Shinibali Bhattacharyya Francesco Ferrari roser valentí Institut für Theoretische Physik Goethe-UniversitätFrankfurt am MainGermany

Recent experimental findings have reported the presence of unconventional charge orders in the enlarged(2×2)unit-cell of kagome metals AV3Sb5(A=K,Rb,Cs)and hinted towards specific topological *** by these discoveries,we investigate the types of topological phases that can be realized in such kagome *** this context,we employ a recently introduced statistical method capable of constructing topological models for any generic *** analyzing large data sets generated from symmetry-guided distributions of randomized tight-binding parameters,and labeled with the corresponding topological index,we extract physically meaningful *** illustrate the possible real-space manifestations of charge and bond modulations and associated flux patterns for different topological classes,and discuss their relation to present theoretical predictions and experimental signatures for the AV_(3)Sb_(5)***,we predict higher-order topological phases that may be realized by appropriately manipulating the currently known systems.

关键词： topological signature meaningful

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