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Phase Diagram of a Spin-ice Kondo Lattice Model in a Breathing Pyrochlore Lattice

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 Added by Munir Shahzad
 Publication date 2020
  fields Physics
and research's language is English




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We study a spin-ice Kondo lattice model on a breathing pyrochlore lattice with classical localized spins. The highly efficient kernel polynomial expansion method, together with a classical Monte Carlo method, is employed in order to study the magnetic phase diagram at four representative values of the number density of itinerant electrons. We tune the breathing mode by varying the hopping ratio -- the ratio of hopping parameters for itinerant electrons along inequivalent paths. Several interesting magnetic phases are stabilized in the phase diagram parameterized by the hopping ratio, Kondo coupling, and electronic filling fraction, including an all-in/all-out ordered spin configuration phase, spin-ice, ordered phases containing $16$ and $32$ spin sites in the magnetic unit cell, as well as a disordered phase at small values of the hopping ratio.



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The Coulombic quantum spin liquid in quantum spin ice is an exotic quantum phase of matter that emerges on the pyrochlore lattice and is currently actively searched for. Motivated by recent experiments on the Yb-based breathing pyrochlore material Ba$_3$Yb$_2$Zn$_5$O$_{11}$, we theoretically study the phase diagram and magnetic properties of the relevant spin model. The latter takes the form of a quantum spin ice Hamiltonian on a breathing pyrochlore lattice, and we analyze the stability of the quantum spin liquid phase in the absence of the inversion symmetry which the lattice breaks explicitly at lattice sites. Using a gauge mean-field approach, we show that the quantum spin liquid occupies a finite region in parameter space. Moreover, there exists a direct quantum phase transition between the quantum spin liquid phase and featureless paramagnets, even though none of theses phases break any symmetry. At nonzero temperature, we show that breathing pyrochlores provide a much broader finite temperature spin liquid regime than their regular counterparts. We discuss the implications of the results for current experiments and make predictions for future experiments on breathing pyrochlores.
Fractonic phases of matter are novel quantum ground states supporting sub-dimensional emergent excitations with mobility restrictions and/or immobile fractons. The ground state degeneracy of such phases is sub-extensive and depends on the geometry of the underlying lattice. Due to these unusual properties, fractonic phases are considered as models for quantum memory or as examples of quantum glassy behaviors. While there exist a number of exactly solvable models with interactions between multiple particles/spins (twelve or more), the realization of such models in real materials is extremely challenging. In this work, we provide a realistic quantum model of quadratic spin interactions on the breathing pyrochlore lattice, inspired by a classical spin model studied earlier. We show that the emergent excitations in this model are immobile when they are present alone. They can only move as a cluster or when they reside at the corners of a membrane excitation. Using the membrane operators acting on the ground state manifold, we construct degenerate ground states with periodic boundary conditions. It is shown that the ground state degeneracy explicitly depends on the lattice geometry. We discuss the implications of these results in light of the rank-2 tensor gauge theory.
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Reproducing the electronic structure of AM$_4$X$_8$ lacunar spinels with a breathing pyrochlore lattice is a great theoretical challenge due to the interplay of various factors. The character of the M$_4$X$_4$ cluster orbitals is critically influenced by the Jahn-Teller instability, the spin-orbit interaction, and also by the magnetic state of the clusters. Consequently, to reproduce the narrow-gap semiconducting nature of these moderately correlated materials requires advanced approaches, since the strength of the inter-cluster hopping is strongly affected by the character of the cluster orbitals. In order to provide a solid experimental basis for theoretical studies, we performed broadband optical spectroscopy on a large set of lacunar spinels, with systematically changing ions at the A and M sites as well as the ligand (A=Ga, Ge, Al; M=V, Mo, Nb, Ta; X=S, Se). Our study covers the range of phonon excitations and also electronic transitions near the gap edge. In the phonon excitation spectrum a limited subset of the symmetry allowed modes is observed in the cubic state, with a few additional modes emerging upon the symmetry-lowering structural transition. All the infrared active modes are assigned to vibrations of the ligands and ions at the A sites, with no obvious contribution from the M-site ions. Concerning the electronic states, we found that all compounds are narrow-gap semiconductors ($E_mathrm{g} = 130 - 350,$meV) already in their room-temperature cubic state and their structural transitions induce weak, if any, changes in the band gap. The gap value is decreased when substituting S with Se and also when replacing $3d$ ions by $4d$ or $5d$ ions at the M sites.
The hierarchy of the coupling strengths in a physical system often engenders an effective model at low energies where the decoupled high-energy modes are integrated out. Here, using neutron scattering, we show that the spin excitations in the breathing pyrochlore lattice compound CuInCr$_4$S$_8$ are hierarchical and can be approximated by an effective model of correlated tetrahedra at low energies. At higher energies, intra-tetrahedron excitations together with strong magnon-phonon couplings are observed, which suggests the possible role of the lattice degree of freedom in stabilizing the spin tetrahedra. Our work illustrates the spin dynamics in CuInCr$_4$S$_8$ and demonstrates a general effective-cluster approach to understand the dynamics on the breathing-type lattices.
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