0000000000283070
AUTHOR
E. V. Gorelik
Universal probes for antiferromagnetic correlations and entropy in cold fermions on optical lattices
We determine antiferromagnetic (AF) signatures in the half-filled Hubbard model at strong coupling on a cubic lattice and in lower dimensions. Upon cooling, the transition from the charge-excitation regime to the AF Heisenberg regime is signaled by a universal minimum of the double occupancy at entropy s=S/(N k_B)=s*=ln(2) per particle and a linear increase of the next-nearest neighbor (NNN) spin correlation function for s<s*. This crossover, driven by a gain in kinetic exchange energy, appears as the essential AF physics relevant for current cold-atom experiments. The onset of long-range AF order (at low s on cubic lattices) is hardly visible in nearest-neighbor spin correlations versus s,…
Mott transitions in ternary flavor mixtures of ultracold fermions on optical lattices
Ternary flavor mixtures of ultracold fermionic atoms in an optical lattice are studied in the case of equal, repulsive on-site interactions U>0. The corresponding SU(3) invariant Hubbard model is solved numerically exactly within dynamical mean-field theory using multigrid Hirsch-Fye quantum Monte Carlo simulations. We establish Mott transitions close to integer filling at low temperatures and show that the associated signatures in the compressibility and pair occupancy persist to high temperatures, i.e., should be accessible to experiments. In addition, we present spectral functions and discuss the properties of a ``semi-compressible'' state observed for large U near half filling.
Mott transitions in the half-filled SU(2M) symmetric Hubbard model
The Hubbard model with large orbital degeneracy has recently gained relevance in the context of ultracold earth alkali like atoms. We compute its static properties in the SU(2M) symmetric limit for up to M=8 bands at half filling within dynamical mean-field theory, using the numerically exact multigrid Hirsch-Fye quantum Monte Carlo approach. Based on this unbiased data, we establish scaling laws which predict the phase boundaries of the paramagnetic Mott metal-insulator transition at arbitrary orbital degeneracy M with high accuracy.
Quantum Monte Carlo simulations of antiferromagnetism in ultracold fermions on optical lattices within real-space dynamical mean-field theory
We present a massively parallel quantum Monte Carlo based implementation of real-space dynamical mean-field theory for general inhomogeneous correlated fermionic lattice systems. As a first application, we study magnetic order in a binary mixture of repulsively interacting fermionic atoms harmonically trapped in an optical lattice. We explore temperature effects and establish signatures of the N\'{e}el transition in observables directly accessible in cold-atom experiments; entropy estimates are also provided. We demonstrate that the local density approximation (LDA) fails for ordered phases. In contrast, a "slab" approximation allows us to reach experimental system sizes with O(10^5) atoms …
Néel Transition of Lattice Fermions in a Harmonic Trap: A Real-Space Dynamic Mean-Field Study
We study the magnetic ordering transition for a system of harmonically trapped ultracold fermions with repulsive interactions in a cubic optical lattice, within a real-space extension of dynamical mean-field theory. Using a quantum Monte Carlo impurity solver, we establish that antiferromagnetic correlations are signaled, at strong coupling, by an enhanced double occupancy. This signature is directly accessible experimentally and should be observable well above the critical temperature for long-range order. Dimensional aspects appear less relevant than naively expected.
Discriminating antiferromagnetic signatures in systems of ultracold fermions by tunable geometric frustration
Recently, it has become possible to tune optical lattices continuously between square and triangular geometries. We compute thermodynamics and spin correlations in the corresponding Hubbard model using a determinant quantum Monte Carlo technique and show that the frustration effects induced by the variable hopping terms can be clearly separated from concomitant bandwidth changes by a proper rescaling of the interaction. An enhancement of the double occupancy by geometric frustration signals the destruction of nontrivial antiferromagnetic correlations at weak coupling and entropy $s\ensuremath{\lesssim}\mathrm{ln}(2)$ (and restores Pomeranchuk cooling at strong frustration), paving the way t…
Breaking the semi-quinoid structure: spin-switching from strongly coupled singlet to polarized triplet state.
2,7-TMPNO (4,5,9,10-tetramethoxypyrene-2,7-bis(tert-butylnitroxide)) was found to exist in semi-quinoid form with unprecedented strong intramolecular magnetic exchange interaction of 2 J/kB = 1185 K operating over a distance of 10 A. Structural transformations with the activation energy of ΔEeq = 949 K were observed by varying the temperature, from more quinoid structure at low temperature to more biradicaloid structure at higher temperature. Moreover, this molecule undergoes a transient spin transition from singlet to polarized triplet state upon photoexcitation revealed by TREPR spectroscopy. The spin Hamiltonian parameters were determined to be S = 1, g = 2.0065, D = -0.0112 cm(-1), and …
Momentum-dependent pseudogaps in the half-filled two-dimensional Hubbard model
We compute unbiased spectral functions of the two-dimensional Hubbard model by extrapolating Green functions, obtained from determinantal quantum Monte Carlo simulations, to the thermodynamic and continuous time limits. Our results clearly resolve the pseudogap at weak to intermediate coupling, originating from a momentum selective opening of the charge gap. A characteristic pseudogap temperature T*, determined consistently from the spectra and from the momentum dependence of the imaginary-time Green functions, is found to match the dynamical mean-field critical temperature, below which antiferromagnetic fluctuations become dominant. Our results identify a regime where pseudogap physics is …