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arXiv:1401.4075 · Scientific Reports

Antiferromagnetic Metal and Mott Transition on Shastry-Sutherland Lattice

Haidi Liu, Yao‐Hua Chen, Heng-Fu Lin, Hong-Shuai Tao, Wu-Ming Liu

Published Apr 29, 2014• 17 citations
arXivHTMLPDF

Abstract

The Shastry-Sutherland lattice, one of the simplest systems with geometrical frustration, which has an exact eigenstate by putting singlets on diagonal bonds, can be realized in a group of layered compounds and raises both theoretical and experimental interest. Most of the previous studies on the Shastry-Sutherland lattice are focusing on the Heisenberg model. Here we opt for the Hubbard model to calculate phase diagrams over a wide range of interaction parameters, and show the competing effects of interaction, frustration and temperature. At low temperature, frustration is shown to favor a paramagnetic metallic ground state, while interaction drives the system to an antiferromagnetic insulator phase. Between these two phases, there are an antiferromagnetic metal phase and a paramagnetic insulator phase (which should consist of a small plaquette phase and a dimer phase) resulting from the competition of the frustration and the interaction. Our results may shed light on more exhaustive studies about quantum phase transitions in geometrically frustrated systems.

DOI
10.1038/srep04829

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The Shastry-Sutherland lattice, one of the simplest systems with geometrical frustration, which has an exact eigenstate by putting singlets on diagonal bonds, can be realized in a group of layered compounds and raises both theoretical and experimental interest. Most of the previous studies on the Shastry-Sutherland lattice are focusing on the Heisenberg model. Here we opt for the Hubbard model to calculate phase diagrams over a wide range of interaction parameters, and show the competing effects of interaction, frustration and temperature. At low temperature, frustration is shown to favor a paramagnetic metallic ground state, while interaction drives the system to an antiferromagnetic insulator phase. Between these two phases, there are an antiferromagnetic metal phase and a paramagnetic insulator phase (which should consist of a small plaquette phase and a dimer phase) resulting from the competition of the frustration and the interaction. Our results may shed light on more exhaustive studies about quantum phase transitions in geometrically frustrated systems.
We study the half-filled single-band Hubbard model on the Shastry-Sutherland lattice with nearest-neighbor hopping t , incorporating (i) a frustrating diagonal hopping t ′ to probe the emergence of spin-liquid behavior, and (ii) an additional Heisenberg exchange J that explicitly stabilizes plaquette-singlet correlations. Using the variational cluster approximation (VCA) with exact diagonalization at zero temperature on an eight-site cluster, we map the phase diagrams in the ( U / t , t ′ / t ) and ( U / t , J / t ) parameter planes. In the ( U / t , t ′ / t ) plane, our analysis uncovers a competition between Néel antiferromagnetic (AFM) order with staggered magnetization and a nonmagnetic regime lacking conventional order, consistent with a nonmagnetic insulating phase that may be related to the spin-liquid-like regimes reported in previous studies. In contrast, the ( U / t , J / t ) phase diagram exhibits a competition between the Néel antiferromagnet and a solid valence-bonding valence bond plaquette (PS), where spins form localized singlet plaquettes. Most notably, we observe that the transition from the PS phase to the Néel AFM phase is a first-order phase transition, with a discontinuous jump of the order parameters at the phase boundary, in quantitative agreement with high-pressure heat-capacity measurements on SrCu 2 ( BO 3 ) 2 [J. Guo , ]. Thus, our VCA analysis underscores the subtle interplay of geometric frustration, quantum fluctuations, and dimensionality, and elucidates the crucial role of short-range correlations in stabilizing and competing ground states of frustrated quantum magnets.
Exploring the influence of frustration on the phases and related phase transitions in condensed matter physics is of fundamental importance in uncovering the role played by frustration. In the two-dimensional square lattice, a minimal frustration has been formulated in 1981 as the Shastry-Sutherland (SS) model described by competitions between the nearest-neighbor bond (J1J_1J1​) and the next-nearest-neighbor one (J2J_2J2​). In the two limits of α=J2/J1α=J_2/J_1α=J2​/J1​, i.e. α≪1α\ll 1α≪1 and α≫1α\gg 1α≫1, the corresponding phases are the N{é}el antiferromagnet (AFM) and the dimer-singlet(DS). Unfortunately, the intermediate regime remains controversial, and the nature of transition from the N{é}el AFM to the intermediate state is also unclear. Here we provide a pattern language to explore the SS model and take the lattice size L=4×4L=4 \times4L=4×4 with periodic boundary condition. We firstly diagonalize the Hamiltonian in an operator space to obtain all fundamental spin-patterns and then analyze their energy and occupancy evolutions with the frustration parameter κ=α/(1+α)κ=α/ (1+α)κ=α/(1+α). Our results indicate that the intermediate regime is characterized by diagonal two-domain spin-pattern while the N{é}el AFM state has a diagonal single-domain and the DS has mixings of diagonal single- and four-domain. While the transition from the DS to the intermediate phase occurred around αc=1.5α_c = 1.5αc​=1.5 is the first-order in nature, consistent with that in literature, the one from the intermediate phase to the AFM is clearly seen around αc=1.277α_c = 1.277αc​=1.277, where it has a reversal of the contributions from the single- and two-domain patterns to the ground state. The result indicates that the pattern language is powerful in identifying the possible phases in frustrated models.
Frustrated spin-1/2 model with all-antiferromagnetic exchange on Shastry-Sutherland lattice (SSL) has been extensively explored, and in this work we study the quantum phase diagram of isotropic Heisenberg spin- 1 / 2 model on the SSL with ferromagnetic exchange interactions along leg, and antiferromagnetic couplings along the diagonal bonds ( J ). Using density matrix renormalization group (DMRG) and exact diagonalization calculations, we identify four distinct ground-state (gs) phases for this frustrated spin-1/2 model: stripe ( π , 0 ) , stripe ( 0 , π ) , ferromagnetic, and spiral-dimer phases. In the spiral-dimer phase the gs can exhibit dimer formation along the diagonal bonds with or without spins spiral along the x axis or y axis in different parameter regime and these states are connected through crossovers. There is a continuous transition between stripe with a long-range spin-spin correlations and spiral-dimer phase with a short-range correlations. An effective spin parameter is introduced to accurately determine the phase boundaries. Our DMRG results differ significantly from previous Schwinger boson mean-field theory predictions. The spiral phase occurs in a narrow range of the parameter space and shows short-range correlations in the system.
We study the half-filled single-band Hubbard model on the Shastry–Sutherland lattice with nearest-neighbor hopping ttt, incorporating (i) a frustrating diagonal hopping t′t't′ to probe the emergence of spin-liquid behavior, and (ii) an additional Heisenberg exchange JJJ that explicitly stabilizes plaquette-singlet correlations. Using the variational cluster approximation (VCA) with exact diagonalization at zero temperature on an eight-site cluster, we map the phase diagrams in the (U/t,t′/t)(U/t,t'/t)(U/t,t′/t) and (U/t,J/t)(U/t,J/t)(U/t,J/t) parameter planes. In the (U/t,t′/t)(U/t,t'/t)(U/t,t′/t) plane, our analysis uncovers a competition between N\'eel antiferromagnetic (AFM) order with staggered magnetization and a nonmagnetic regime lacking conventional order, consistent with an algebraic spin-liquid (ASL) phase characterized by a gapped excitation spectrum and vanishing staggered magnetization. In contrast, the (U/t,J/t)(U/t,J/t)(U/t,J/t) phase diagram exhibits a competition between the N\'eel AFM and a solid valence-bonding valence bond plaquette (PS), where spins form localized singlet plaquettes. Most notably, we observe that the transition from the PS phase to the N\'eel AFM is a first-order phase transition, with a discontinuous jump of the order parameters at the phase boundary, in quantitative agreement with high-pressure heat-capacity measurements on SrCu2_22​(BO3_33​)2_22​ [Guo \emph{et al.}, Commun. Phys. 8, 75 (2025)]. Thus, our VCA analysis underscores the subtle interplay of geometric frustration, quantum fluctuations, and dimensionality, and elucidates the crucial role of short-range correlations in stabilizing and competing ground states of frustrated quantum magnets.
Motivated by the recent experimental discovery of the TTT-linear specific heat in pressurized and magnetized Shastry-Sutherland Mott insulator SrCu2_22​(BO3_33​)2_22​, we perform the state-of-the-art thermal tensor-network computation on the Shastry-Sutherland model under a magnetic field. Our simulation results suggest the existence of a symmetric intermediate phase with TTT-linear specific heat at low temperature, occupying a large parameter space and between the plaquette-singlet phase and antiferromagnetic phase at low fields and other symmetry-breaking phases at high fields before the system is fully polarized. Such an unexpected novel state bears an astonishing similarity to the experimental findings in the material. It opens the door to further investigations of the possible liberation of deconfined magnetized Dirac spinons by the competing interactions in this highly frustrated quantum magnet model, and by the combined effects of magnetic field and pressure in the associated Shastry-Sutherland Mott insulator SrCu2_22​(BO3_33​)2_22​.
The checkerboard lattice, with alternating 'crossed' plaquettes, serves as the two dimensional analog of the pyrochlore lattice. The corner sharing plaquette structure leads to a hugely degenerate ground state, and no magnetic order, for classical spins with short range antiferromagnetic interaction. For the half-filled Hubbard model on this structure, however, we find that the Mott insulating phase involves virtual electronic processes that generate longer range and multispin couplings. These couplings lift the degeneracy, selecting a 'flux like' state in the Mott insulator. Increasing temperature leads, strangely, to a sharp crossover from this state to a '120 degree' correlated state and then a paramagnet. Decrease in the Hubbard repulsion drives the system towards an insulator-metal transition-the moments reduce, and a spin disordered state wins over the flux state. Near the insulator-metal transition the electron system displays a pseudogap extending over a large temperature window.