Thermodynamics of a Bad Metal–Mott Insulator Transition in the Presence of Frustration

Kokalj, Jure; McKenzie, Ross H.

doi:10.1103/physrevlett.110.206402

Cited by 51 publications

(67 citation statements)

References 40 publications

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“…Moreover, numerical benchmarks for the MIT (available in the literature primarily for m ∼ 0) in the triangular lattice are even more scattered (see the compilation in Ref. [8]), so it is at this stage hard to better quantify our HD-pairing results.…”

Section: Discussionmentioning

confidence: 99%

“…2 in Ref. [8] and multiplied by 2 due to different definitions of the gap). In spite of quite different spin background, Fig.…”

Section: B Triangular Latticementioning

confidence: 99%

“…One should bear in mind that also other numerical results for triangular lattice show considerable uncertainties, see, e.g., the compilation in the Supplemental Material for Ref. [8]. For a single HD pair it is straightforward to evaluate also the actual doublon densityD, defined by the probability that the holon and doublon are not on the same site, leading to the explicit expressioñ…”

Section: B Triangular Latticementioning

confidence: 99%

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Holon-doublon binding as the mechanism for the Mott transition

et al. 2015

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We study the binding of a holon to a doublon in a half-filled Hubbard model as the mechanism of the zero-temperature metal-insulator transition. In a spin polarized system a single holon-doublon (HD) pair exhibits a binding transition on a 3D lattice, or a sharp crossover on a 2D lattice, corresponding well to the standard Mott transition in unpolarized systems. We extend the HD-pair study towards nonpolarized systems by considering more general spin background and by treating the finite HD density within a BCS-type approximation. Both approaches lead to a discontinuous transition away from the fully polarized system and give density correlations consistent with numerical results on a triangular lattice.

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Section: Discussionmentioning

confidence: 99%

“…2 in Ref. [8] and multiplied by 2 due to different definitions of the gap). In spite of quite different spin background, Fig.…”

Section: B Triangular Latticementioning

confidence: 99%

Section: B Triangular Latticementioning

confidence: 99%

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Holon-doublon binding as the mechanism for the Mott transition

et al. 2015

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“…Real materials, of course, exist in finite (low) dimensions where systematic corrections to DMFT need to be included [36][37][38][39]. In many cases [40][41][42], these nonlocal corrections prove significant only at sufficiently low temperatures. Then our findings should be even quantitatively accurate in the high-temperature incoherent regime, as in the very recent experiments on organic materials [43] for the case of half-filling.…”

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confidence: 99%

Bad-Metal Behavior Reveals Mott Quantum Criticality in Doped Hubbard Models

et al. 2015

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Bad-Metal (BM) behavior featuring linear temperature dependence of the resistivity extending to well above the Mott-Ioffe-Regel (MIR) limit is often viewed as one of the key unresolved signatures of strong correlation. Here we associate the BM behavior with the Mott quantum criticality by examining a fully frustrated Hubbard model where all long-range magnetic orders are suppressed, and the Mott problem can be rigorously solved through Dynamical Mean-Field Theory. We show that for the doped Mott insulator regime, the coexistence dome and the associated first-order Mott metal-insulator transition are confined to extremely low temperatures, while clear signatures of Mott quantum criticality emerge across much of the phase diagram. Remarkable scaling behavior is identified for the entire family of resistivity curves, with a quantum critical region covering the entire BM regime, providing not only insight, but also quantitative understanding around the MIR limit, in agreement with the available experiments.PACS numbers: 71.27.+a,71.30.+h Metallic transport inconsistent with Fermi liquid theory has been observed in many different systems; it is often linked to quantum criticality around some ordering phase transition [1, 2]. Such behavior is notable near quantum critical points in good conductors, for example in heavy fermion compounds [3, 4]. In several other classes of materials, however, much more dramatic departures form conventional metallic behavior are clearly observed, where resistivity still rises linearly with temperature, but it reaches paradoxically large values, well past the MIR limit [5, 6]. This "Bad-Metal" (BM) behavior [7], was first identified in the heyday of high-temperature superconductivity, in materials such as La 2−x Sr x CuO 4 [8]. While the specific copper-oxide family and related high-T c materials remain ill-understood and marred with controversy, it soon became clear that BM behavior is a much more general feature [6] of materials close to the Mott metal-insulator transition (MIT) [9]. Indeed, it has been clearly identified also in various oxides [10, 11], organic Mott systems [12][13][14], as well as more recently discovered families of iron pnictides [15]. Despite years of speculation and debate, so far its clear physical interpretation has not been established.To gain reliable insight into the origin of BM behavior, it is useful to examine an exactly solvable model system, where one can suppress all possible effect associated with the approach to some broken symmetry phase, or those specific to low dimensions and a given lattice structure. This can be achieved by focusing on the "maximally frustrated Hubbard model", where an exact solution can be obtained by solving Dynamical Mean-Field Theory (DMFT) equations [16] in the paramagnetic phase. Although various aspects of the DMFT equation have been studied for more than twenty years, only very recent work [17,18] established how to identify the quantum critical (QC) behavior associated with the interaction-driven Mott transition at ...

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“…We take the value of the Young's modulus E i from experiment and later comment on the effect of the Mott transition on it. We estimate ∂t/∂l i from band structure calculations and we calculate ∂S/∂t numerically with the finite-temperature Lanczos method (FTLM) [23,24]. It follows from the third law of thermodynamics that α i (T ) → 0 as T → 0.…”

Section: General Thermodynamic Considerationsmentioning

confidence: 99%

Enhancement of thermal expansion of organic charge-transfer salts by strong electronic correlations

Kokalj

McKenzie

2015

Phys. Rev. B

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Organic charge-transfer salts exhibit thermal expansion anomalies similar to those found in other strongly correlated electron systems. The thermal expansion can be anisotropic and have a nonmonotonic temperature dependence. We show how these anomalies can arise from electronic effects and be significantly enhanced, particularly at temperatures below 100 K, by strong electronic correlations. For the relevant Hubbard model the thermal expansion is related to the dependence of the entropy on the parameters (t, t , and U ) in the Hamiltonian or the temperature dependence of bond orders and double occupancy. The latter are calculated on finite lattices with the finite-temperature Lanczos method. Although many features seen in experimental data, in both the metallic and Mott insulating phase, are described qualitatively, the calculated magnitude of the thermal expansion is smaller than that observed experimentally.

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Thermodynamics of a Bad Metal–Mott Insulator Transition in the Presence of Frustration

Cited by 51 publications

References 40 publications

Holon-doublon binding as the mechanism for the Mott transition

Holon-doublon binding as the mechanism for the Mott transition

Bad-Metal Behavior Reveals Mott Quantum Criticality in Doped Hubbard Models

Enhancement of thermal expansion of organic charge-transfer salts by strong electronic correlations

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