Motivated by recent experimental progress on various cluster Mott insulators, we study an extended Hubbard model on a breathing Kagomé lattice with a single electron orbital and $1/6$ electron filling. Two distinct types of cluster localization are found in the cluster Mott regime due to the presence of the electron repulsion between neighboring sites, rather than from the on-site Hubbard interaction in the conventional Mott insulators. We introduce a unified parton construction framework to accommodate both type of cluster Mott insulating phase as well as a trivial Ferm liquid metal and discuss the phase transitions in the phase diagram. It is shown that, in one of the cluster localization phases, the strong inter-site repulsion results into locally metallic behavior within one of two triangular clusters on the breathing Kagomé lattice. We further comment on experimental relevance to existing Mo-based cluster magnets.
A second-order topological insulator in $d$ dimensions is an insulator which has no $d-1$ dimensional topological boundary states but has $d-2$ dimensional topological boundary states. It is an extended notion of the conventional topological insulator. Higher-order topological insulators have been investigated in square and cubic lattices. In this paper, we generalize them to breathing Kagome and pyrochlore lattices. First, we construct a second-order topological insulator on the breathing Kagome lattice. Three topological boundary states emerge at the corner of the triangle, realizing a 1/3 f…
Precompression engineering of metal-insulator transition and magnetism in designed breathing kagome systems
School of Physics and Astronomy, and Key Laboratory of Multiscale Spin Physics (Ministry of Education), Beijing Normal University（北京师范大学物理与天文学院，多尺度自旋物理教育部重点实验室）；College of Physics, Hebei Normal University, and Hebei Advanced Thin Films Laboratory（河北师范大学物理学院，河北省先进薄膜实验室）
In the vanadium oxyfluoride compound (NH$_4$)$_2$[C$_7$H$_{14}$N][V$_7$O$_6$F$_{18}$] (DQVOF), the V$^{4+}$ (3d$^1$, $S=1/2$) ions realize a unique, highly frustrated breathing kagome lattice composed of alternately-sized, corner-sharing equilateral triangles. Here we present an $^{17}$O NMR study of DQVOF, which isolates the local susceptibility of the breathing kagome network. By a fit to series expansion we extract the ratio of the interactions within the breathing kagome plane, $J_\triangledown / J_\vartriangle = 0.55(4)$, and the mean antiferromagnetic interaction $\bar{J}=60(7)$~K. Spin …
Magnetic skyrmion textures are realized mainly in non-centrosymmetric, e.g. chiral or polar, magnets. Extending the field to centrosymmetric bulk materials is a rewarding challenge, where the released helicity / vorticity degree of freedom and higher skyrmion density result in intriguing new properties and enhanced functionality. We report here on the experimental observation of a skyrmion lattice (SkL) phase with large topological Hall effect and an incommensurate helical pitch as small as 2.8 nm in metallic Gd3Ru4Al12, which materializes a breathing kagomé lattice of Gadolinium moments. The …
We study the zero-temperature phase diagram of the spin-$\frac{1}{2}$ Heisenberg model with breathing anisotropy (i.e., with different coupling strength on the upward and downward triangles) on the kagome lattice. Our study relies on large scale tensor network simulations based on infinite projected entangled-pair state and infinite projected entangled-simplex state methods adapted to the kagome lattice. Our energy analysis suggests that the U(1) algebraic quantum spin-liquid (QSL) ground-state of the isotropic Heisenberg model is stable up to very large breathing anisotropy until it breaks do…
Motivated by recent experiments on the vanadium oxyfluoride material DQVOF, we examine possible spin liquid phases on a breathing kagome lattice of S=1/2 spins. By performing a projective symmetry group analysis, we determine the possible phases for both fermionic and bosonic $\mathbb{Z}_2$ spin liquids on this lattice, and establish the correspondence between the two. The nature of the ground state of the Heisenberg model on the isotropic kagome lattice is a hotly debated topic, with both $\mathbb{Z}_2$ and U(1) spin liquids argued to be plausible ground states. Using variational Monte Carlo …
We present measurements on a series of materials, Li$_2$In$_{1-x}$Sc$_x$Mo$_3$O$_8$, that can be described as a 1/6th-filled breathing kagome lattice. Substituting Sc for In generates chemical pressure which alters the breathing parameter non-monotonically. $μ$SR experiments show that this chemical pressure tunes the system from antiferromagnetic long range order to a quantum spin liquid phase. A strong correlation with the breathing parameter implies that it is the dominant parameter controlling the level of magnetic frustration, with increased kagome symmetry generating the quantum spin liqu…
High-pressure modulation of breathing kagome lattice: Cascade of Lifshitz transitions and evolution of the electronic structure
Helmholtz-Zentrum Dresden-Rossendorf（德累斯顿罗森多夫赫尔姆霍兹中心）；TUD Dresden University of Technology（德累斯顿工业大学）；Universität Stuttgart（斯图加特大学）；Synchrotron SOLEIL（索雷尔同步辐射中心）；ESRF（欧洲同步辐射装置）；ShanghaiTech University（上海科技大学）；Renmin University of China（中国人民大学）
Motivated by the recent developments on cluster Mott insulating materials such as the cluster magnet LiZn$_2$Mo$_3$O$_8$, we consider the strong plaquette charge ordered regime of the extended Hubbard model on a breathing Kagome lattice and reveal the properties of the cluster Mottness. The plaquette charge order arises from the inter-site charge interaction and the collective motion of three localized electrons on the hexagon plaquettes. This model leads naturally to a reduction of the local moments by 2/3 as observed in LiZn$_2$Mo$_3$O$_8$. Furthermore, at low temperatures each hexagon plaqu…
In this work, topological properties of a ferromagnetic Heisenberg model on a breathing kagome lattice are investigated extensively in the presence of Dzyaloshinskii-Moriya interaction. While the kagome ferromagnet hosts only a single first order topological phase, the breathing kagome system exhibits multiple first and second order topological phases along with their coexistence. Magnon dispersion relation is obtained by using linear spin wave theory. Flat band and Dirac cones are obtained in the absence of Dzyaloshinskii-Moriya interaction. A topological phase diagram is presented where seve…
We investigate the spin-1/2 Heisenberg antiferromagnet on the kagome lattice with breathing anisotropy (i.e. with weak and strong triangular units), constructing an improved simplex Resonating Valence Bond (RVB) ansatz by successive applications (up to three times) of local quantum gates which implement a filtering operation on the bare nearest-neighbor RVB state. The resulting Projected Entangled Pair State involves a small number of variational parameters (only one at each level of application) and preserves full lattice and spin-rotation symmetries. Despite its simple analytic form, the sim…
We study the impact of trimerization (breathing) of the nearest-neighbor (NN) exchange on the planar XY spin-1/2 ferromagnet on the kagome lattice, including additional four-site ring exchange. For uniform NN exchange, this model has previously been shown to transit from a long-range ordered ferromagnet into a Z2 quantum spin liquid by virtue of the ring exchange. Using quantum Monte-Carlo calculations, based on the stochastic series expansion, we present results for the spin stiffness, the quantum phase diagram, the longitudinal static, as well as the transverse dynamic structure factor. Our …
We show that classical Heisenberg antiferromagnets on the breathing kagome lattice can be a platform to realize a zero-field topological order of the scalar spin chirality which can be viewed as a miniature skyrmion crystal (SkX) of discrete form with a small number of spins in its magnetic unit cell. In the model, a third nearest-neighbor (NN) antiferromagnetic interaction along the bond direction $J_3$ and the breathing bond-alternation characterized by the ratio of the NN interaction for large triangles to that for small ones, $J_1'/J_1$, are essential. It is found by means of Monte Carlo s…
In breathing pyrochlores and kagomes, couplings between neighbouring tetrahedra and triangles are free to differ. Breathing lattices thus offer the possibility to explore a different facet of the rich physics of these systems. Here we consider nearest-neighbour classical Heisenberg interactions, both ferromagnetic and antiferromagnetic, and study how the anisotropy of breathing lattices modifies the mode spectrum of pyrochlore and kagome systems. The nature and degeneracy of the flat bands are shown to be preserved for any value of the anisotropy. These flat bands can coexist with Dirac nodes …
We theoretically study the topological properties of the tight-binding model on the breathing kagome lattice with antisymmetric spin-orbit coupling (SOC) between nearest neighbors. We show that the system hosts nontrivial topological phases even without second-nearest-neighbor hopping, and that the weakly dispersing band of the kagome lattice can become topological. The main results are presented in the form of phase diagrams, where the $\mathbb{Z}_2$ topological index is shown as a function of SOC (intrinsically allowed and Rashba) and lattice trimerization. In addition, exact diagonalization…
Motivated by recent experiments in Gd$_3$Ru$_4$Al$_{12}$, we demonstrate the emergence of atomic scale Skyrmions in interacting spins on a breathing kagome lattice with competing nearest neighbor ferromagnetic and next nearest neighbor antiferromagnetic exchange interactions. In the presence of an applied longitudinal magnetic field, the ground state magnetic order evolves from a helical phase at low fields to a Skyrmion phase at intermediate fields before finally entering a polarized phase at high fields. The size of each Skyrmion spans only two unit cells of the lattice, in contrast to tens …
Magnetic Anisotropies and Skyrmion Lattice Related to Magnetic Quadrupole Interactions of the RKKY Mechanism in Frustrated Spin-Trimer System Gd$_{3}$Ru$_{4}$Al$_{12}$ with a Breathing Kagome Structure
Anomalous Hall Response Induced by Correlated Disorder in the Breathing Kagome Lattice Mn$_{3}$Sn
Oak Ridge National Laboratory（橡树岭国家实验室）；The Pennsylvania State University（宾夕法尼亚州立大学）；Weizmann Institute of Science（魏茨曼科学研究所）；Brigham Young University（杨百翰大学）；Institute of Physics of the Czech Academy of Sciences（捷克科学院物理研究所）；Brookhaven National Laboratory（布鲁克海文国家实验室）
Spin-1 antiferromagnets are abundant in nature, but few theories or results exist to understand their general properties and behavior, particularly in situations when geometric frustration is present. Here we study the $S=1$ Kagome compound Na$_2$Ti$_3$Cl$_8$ using a combination of Density Functional Theory, Exact Diagonalization, and Density Matrix Renormalization Group methods to achieve a first principles supported explanation of exotic magnetic phases in this compound. We find that the effective magnetic Hamiltonian includes essential non-Heisenberg terms that do not stem from spin-orbit c…
From strong to weak correlations in breathing-mode kagome van der Waals materials: Nb$_3$(F,Cl,Br,I)$_8$ as a robust and versatile platform for many-body engineering
The higher-order topological insulator (HOTI) protected by spacial symmetry has been studied in-depth on models with square lattice. Our work, based on an alternative model on the breathing Kagome lattice, revealed that the different types of corners in the lattice could actually be conditionally gapless, or always gapped. Using the Wilson loop formalism, we argue that these corner states occur when the eigenvalues of the Wannier Hamiltonian cross through a certain reference point during the conceptual "pumping" procedure. The results demonstrate the corner of the Kagome lattice based HOTI is …
We report results from spin trimer-based cluster quantum Monte Carlo simulations for the thermodynamic properties of two-dimensional frustrated quantum antiferromagnets that are composed of weakly-coupled three-spin (trimer) clusters. In particular, we consider the spin-1/2 kagome lattice with a strong breathing distortion, and the triangle-square lattice model proposed previously for the cuprate La${}_4$Cu${}_3$MoO${}_{12}$. For both cases, we demonstrate that an appropriately chosen trimer-based computational basis allows us to significantly reduce the quantum Monte Carlo sign problem down t…
Parafermions are a natural generalization of Majorana fermions. We consider a breathing Kagome lattice with complex hoppings by imposing $\mathbb{Z}_{3}$ clock symmetry in the complex energy plane. It is a non-Hermitian generalization of the second-order topological insulator characterized by the emergence of topological corner states. We demonstrate that the topological corner states are parafermions in the present $\mathbb{Z}_{3}$ clock-symmetric model. It is also shown that the model is realized in electric circuits properly designed, where the parafermion corner states are observed by impe…
Recently the structural transition in Na2Ti3Cl8 at 200 K with the formation of triangular Ti3 clusters was studied by ab-initio calculations in PRL 124, 167203 (2020). It was concluded on the basis of the DFT+U results that the usual band effects are not sufficient to explain this transition. The authors then invoked magnetic mechanisms, including complicated factors such as biquadratic and ring exchanges. We point out that this overcomplicated description is unnecessary, and that the formation of trimers, or breathing kagome lattice in Na2Ti3Cl8, and in many other systems, has very simple, al…
Magnetic self-frustration from spontaneous structural distortion
Instituto de Física de Líquidos y Sistemas Biológicos (IFLYSIB), UNLP-CONICET（液体与生物系统物理研究所 (IFLYSIB)，拉普拉塔国立大学-国家科学研究委员会）；Departamento de Física, Facultad de Ciencias Exactas, Universidad Nacional de La Plata（拉普拉塔国立大学，理学院，物理系）
We devise a generic recipe for constructing $D$-dimensional lattice models whose $d$-dimensional boundary states, located on surfaces, hinges, corners, and so forth, can be obtained exactly. The solvability is rooted in the underlying lattice structure and as such does not depend on fine tuning, allowing us to track their evolution throughout various phases and across phase transitions. Most saliently, our models provide "boundary solvable" examples of the recently introduced higher-order topological phases. We apply our general approach to breathing and anisotropic kagome and pyrochlore latti…
