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Transport and Non-Equilibrium Dynamics in Optical Lattices. From Expanding Atomic Clouds to Negative Absolute Temperatures

Stephan Mandt

Published Jan 1, 2012• 2 citations
OpenAlex

Abstract

Transport properties and nonequilibrium dynamics in strongly correlated materials are \ntypically difficult to calculate. This holds true even for minimalistic model Hamiltonians \nof these systems, such as the fermionic Hubbard model. \nUltracold atoms in optical lattices enable an alternative realization of the Hubbard \nmodel and have the advantage of being free of additional complications such as phonons, \nlattice defects or impurities. This way, cold atoms can be used as quantum simulators of \nstrongly interacting materials. Being thermally isolated systems, however, we show that \ncold atoms in optical lattices can also behave very differently from solids and can show a \nplethora of novel dynamic effects. \nIn this thesis, several out-of equilibrium processes involving interacting fermionic atoms \nin optical lattices are presented. We first analyze the expansion dynamics of an initially \nconfined atomic cloud in the lowest band of an optical lattice. While non-interacting atoms \nexpand ballistically, the cloud expands with a dramatically reduced velocity in the presence \nof interactions. Most prominently, the expansion velocity is independent of the attractive \nor repulsive character of the interactions, highlighting a novel dynamic symmetry of the \nHubbard model. \nIn a second project, we discuss the possibility of realizing negative absolute temperatures in optical lattices. Negative absolute temperatures characterize equilibrium states \nwith an inverted occupation of energy levels. Here, we propose a dynamical process to realize equilibrated Fermions at negative temperatures and analyze the time scales of global \nrelaxation to equilibrium, which are associated with a redistribution of energy and particles \nby slow diffusive processes. \nWe show that energy conservation has a major impact on the dynamics of an interacting \ncloud in an optical lattice, which is exposed to an additional weak linear (gravitational) \npotential. Instead of ‘falling downwards‘, the cloud diffuses symmetrically upwards and \ndownwards in the gravitational potential. Furthermore, we show analytically that the \nradius R grows with the time t according to R ∼ t^1/3, consistent with numerical simulations \nof the Boltzmann equation. \nFinally, we analyze the damping of Bloch oscillations by interactions. For a homogeneous system, we discuss the possibility of mapping the dynamics of the particle current to \na classical damped harmonic oscillator equation, thereby giving an analytic explanation for \nthe transition from weakly damped to over-damped Bloch oscillations. We show that the \ndynamics of a strongly Bloch oscillating and weakly interacting atomic cloud can be discribed in terms of a novel effective “stroboscopic” diffusion equation. In this approximation, \nthe cloud’s radius R grows asymptotically in time t according to R ∼ t^1/5 .

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Quantum simulators at negative absolute temperatures

Ákos Rapp

We propose that negative absolute temperatures in ultracold atomic clouds in optical lattices can be used to simulate quantum systems in new regions of phase diagrams. First we discuss how the attractive SU(3) Hubbard model in three dimensions can be realized using repulsively interacting ${}^{173}$Yb atoms, then we consider how an antiferromagnetic $S=1$ spin chain could be simulated using spinor ${}^{87}$Rb or ${}^{23}$Na atoms. The general idea to achieve negative absolute temperatures is to reverse the sign of the external harmonic potential. Energy conservation in a deep optical lattice imposes a constraint on the dynamics of the cloud, which can relax toward a $T<0$ state. As the process is strongly nonadiabatic, we estimate the change of the entropy.

arXiv:1112.4299•Physical Review A•Apr 17, 2012•10 citations

Equilibrium and Non-equilibrium Properties of Strongly-Interacting Bosons in Optical Lattices

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This dissertation serves as a summary of my Ph.D. work numerically studying equilibrium and non-equilibrium properties of strongly-interacting one-dimensional (1D) boson systems. This work is motivated by the fact that 1D systems are realizable and highly controllable with ultracold atoms in optical lattice and atom chip experiments. We apply a recent worm algorithmic Monte Carlo approach developed for 1D continuous systems to study their equilibrium properties, both with and without an underlying lattice. We also apply an exact lattice approach based on the Bose-Fermi mapping to check our Monte Carlo results in the Tonks-Girardeau limit, and more importantly, to study far-from-equilibrium expansion dynamics of the systems. We first study the scaling of one-particle correlations of the harmonically trapped Lieb-Liniger gas with changing temperature and interaction strength. Based on the universal behaviors of the density and momentum profiles, we are able to determine the effective parameters needed to fully characterize the system. We also find that the Tonks-Girardeau limit at low temperatures is the ideal regime for the experimental observation of the $1/k^4$ momentum tail. An extra periodic lattice can drive the transition from superfluid to Mott insulator states. Exact and complete phase diagrams for such transitions are available only in the weak interacting and deep lattice limit, in which the system can be described using one-band Bose-Hubbard model. Beyond this limit, we use the worm algorithm in continuous space to map out the phase diagrams at various interaction strengths. We compare our phase diagrams with one-band Bose-Hubbard predictions and identify the regime where the one-band description breaks down. We introduce an inverse confined scattering solution to obtain effective Hubbard parameters, with which the Bose-Hubbard model provides correct results for strong interactions and deep lattices at unit filling. In addition to the equilibrium properties, we also study the expansion dynamics of ultracold atoms in the hard-core limit. Experimentally, this is usually achieved by turning off confining potentials and letting atoms expand in optical lattices. Theoretical studies from initial ground states predicted the occurrence of fermionization of the momentum distribution after long expansion times. In addition, quasicondensation at finite momenta emerges when expanding from Mott insulating domains. Here, we develop a finite-temperature extension of the lattice approach for dynamics. We find the dynamical ferminoization of the momentum distributions at all temperatures. For expansion from initial Mott domains, we observe enhanced correlations reminiscent of dynamical quasicondensation. Surprisingly, we find the systems appear to cool down during the melting of the Mott domains. We use an emergent local Hamiltonian to understand these emergent phenomena.

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Cutting-edge technology needs small, ultrafast devices, operational in a wide range of regimes. This calls for solids with novel, unconventional and tailorable properties. Great progress is expected from materials in which electron-electron and electron-phonon correlations strongly affect the dynamics ( i.e. "unforeseen" useful properties are expected to be most likely found in systems with complex behavior). In spite of the potentially huge technological pay-off, our understanding of these systems is rather incomplete, especially in non-equilibrium. Often, with knowledge of systems or phenomena at an early stage, it is rewarding to resort to model, simplified descriptions. This strategy is used in this thesis, where we study several models lattice systems via density-functional theory. The latter is a well established approach (in fact, it is the current method of choice) for investigations of real materials. In our research, we focussed on little understood properties of interacting many-particle systems, such as the time-dependent conduction properties of electronic devices in the presence of interactions, disorder, and lattice vibrations, or the expansion of ultracold fermion clouds in 3D optical lattices. All these systems were described in terms of Hubbard-type interactions for the electrons, and Holstein-type electron-phonon interactions. Our results show interesting features due to the interactions which depend on dimensionality; they also show a dynamical crossover for several properties, due to the competition between disorder and interaction. Finally, when lattice vibrations are included, we showed how it is possible to manipulate in a controlled way the nuclear dynamics of molecular device via fast electronic external fields, of potential interest for technologies employing nanomolecular motors.

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This thesis describes experiments focused on investigating out-of-equilibrium phenomena in the Bose-Hubbard Model and exploring novel cooling techniques for ultracold gases in optical lattices. In the first experiment, we study quenches across the Mott-insulator-to-superfluid quantum phase transition in the 3D Bose-Hubbard Model. The quench is accomplished by continuously tuning the ratio of the Hubbard energies. We observe that the degree of excitation is proportional to the fraction of atoms that cross the phase boundary, and that the amount of excitations and energy produced during the quench have a power-law dependence on the quench rate. These phenomena suggest an excitation process analogous to the mechanism for defect generation in non-equilibrium classical phase transitions. This experiment constitutes the first observation of the Kibble-Zurek mechanism in a quantum quench. We have reported our findings in Ref. [1]. In a second experiment, published in Ref. [2], we investigate dissipation as a method for cooling a strongly interacting gas. We introduce dissipation via a bosonic reservoir to a strongly interacting bosonic gas in the Mott-insulator regime of a 3D spin-dependent optical lattice. The lattice atoms are excited to a higher energy band using laser-induced Bragg transitions. A weakly interacting superfluid comprised of atoms in a state that does not experience the lattice potential acts as a dissipative bath that interacts with the lattice atoms through collisions. We measure the resulting bath-induced decay using the atomic quasimomentum distribution, and we compare the decay rate with predictions from a weakly interacting model with no free parameters. A competing intrinsic decay mechanism arising from collisions between lattice atoms is also investigated. The presence of intrinsic decay can not be accommodated within a non-interacting framework and signals that strong interactions may play a central role in the lattice-atom dynamics. The intrinsic decay process we observe may negatively impact the success of cooling via dissipation because a fraction of intrinsic decay events can deposit a large amount of energy into the lattice gas. In a third experiment, we develop and carry out the first demonstration of cooling an atomic quasimomentum distribution. Our scheme, applied in a proof-of-principle experiment to 3D Bose-Hubbard gas in the superfluid regime, involves quasimomentum-selective Raman transitions. This experiment is motivated by the search of new cooling techniques for lattice-trapped gases. Efficient cooling exceeding heating rates is achieved by iteratively removing high quasimomentum atoms from the lattice. Quasimomentum equilibration, which is necessary for cooling, is investigated by directly measuring rethermalization rates after bringing the quasimomentum distribution of the gas out of equilibrium. The measured relaxation rate is consistent at high lattice depths with a short-range, two-particle scattering model without free parameters, despite an apparent violation of the Mott-Ioffe-Regel bound. Our results may have implications for models of unusual transport phenomena in materials with strong interactions, such as heavy fermion materials and transition metal oxides. The cooling method we have developed is applicable to any species, including fermionic atoms. Our results are available in Ref. [3]

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Interacting Fermionic Atoms in Optical Lattices Diffuse Symmetrically Upwards and Downwards in a Gravitational Potential

Stephan Mandt, Ákos Rapp, Achim Rosch

We consider a cloud of fermionic atoms in an optical lattice described by a Hubbard model with an additional linear potential. While homogeneous interacting systems mainly show damped Bloch oscillations and heating, a finite cloud behaves differently: It expands symmetrically such that gains of potential energy at the top are compensated by losses at the bottom. Interactions stabilize the necessary heat currents by inducing gradients of the inverse temperature 1/T, with T<0 at the bottom of the cloud. An analytic solution of hydrodynamic equations shows that the width of the cloud increases with t^{1/3} for long times consistent with results from our Boltzmann simulations.

arXiv:1101.4508•Physical Review Letters•Jun 24, 2011•22 citations

Transport Theory in Low Dimensional Systems from Thermoelectric Effects in Luttinger Liquids to Hydrodynamic Expansion of Cold Atoms

David Rasch

The impact of lattice vibrations on the electric conductivity has been considered a settled issue since the proof of the Migdal theorem. The precondition for its validity is a higher velocity of electronic than phononic excitation modes. In some new materials, e. g. weakly coupled spin chains and heavy fermion systems, this precondition is not fulfilled. The heat conductivity of such systems is calculated by means of perturbation theory in this work. Another subject is the interplay of Umklapp scattering and weak disorder in spin chains and one-dimensional correlated metals. Hidden conservation laws lead to a strong coupling between heat current and charge or spin current, respectively. The transport properties are calculated perturbatively within the hydrodynamic memory matrix formalism, which gives a lower bound to the conductivies. To calculate the Lorenz number of one-dimensional metals, we model within this formalism also the influence of phonons, which in physical systems contribute substantially to the heat current. The introduction of ultracold quantum gases in optical lattices in the recent years provides a powerful tool for the modeling of many systems to solid state physics, in particular systems out of equilibrium. The relatively slow dynamics of the cold atoms allows for time resolved imaging of the atoms and thus opens up new perspectives. In the last part of this thesis, a recent experiment, which measures the expansion of a correlated atom cloud in an optical lattice, is compared to a lattice Boltzmann simulation. Depending on the local density, the problem is shown to be described by the crossover from diffusive to ballistic transport.

•Jan 1, 2010•1 citation
Transport properties and nonequilibrium dynamics in strongly correlated materials are \ntypically difficult to calculate. This holds true even for minimalistic model Hamiltonians \nof these systems, such as the fermionic Hubbard model. \nUltracold atoms in optical lattices enable an alternative realization of the Hubbard \nmodel and have the advantage of being free of additional complications such as phonons, \nlattice defects or impurities. This way, cold atoms can be used as quantum simulators of \nstrongly interacting materials. Being thermally isolated systems, however, we show that \ncold atoms in optical lattices can also behave very differently from solids and can show a \nplethora of novel dynamic effects. \nIn this thesis, several out-of equilibrium processes involving interacting fermionic atoms \nin optical lattices are presented. We first analyze the expansion dynamics of an initially \nconfined atomic cloud in the lowest band of an optical lattice. While non-interacting atoms \nexpand ballistically, the cloud expands with a dramatically reduced velocity in the presence \nof interactions. Most prominently, the expansion velocity is independent of the attractive \nor repulsive character of the interactions, highlighting a novel dynamic symmetry of the \nHubbard model. \nIn a second project, we discuss the possibility of realizing negative absolute temperatures in optical lattices. Negative absolute temperatures characterize equilibrium states \nwith an inverted occupation of energy levels. Here, we propose a dynamical process to realize equilibrated Fermions at negative temperatures and analyze the time scales of global \nrelaxation to equilibrium, which are associated with a redistribution of energy and particles \nby slow diffusive processes. \nWe show that energy conservation has a major impact on the dynamics of an interacting \ncloud in an optical lattice, which is exposed to an additional weak linear (gravitational) \npotential. Instead of ‘falling downwards‘, the cloud diffuses symmetrically upwards and \ndownwards in the gravitational potential. Furthermore, we show analytically that the \nradius R grows with the time t according to R ∼ t^1/3, consistent with numerical simulations \nof the Boltzmann equation. \nFinally, we analyze the damping of Bloch oscillations by interactions. For a homogeneous system, we discuss the possibility of mapping the dynamics of the particle current to \na classical damped harmonic oscillator equation, thereby giving an analytic explanation for \nthe transition from weakly damped to over-damped Bloch oscillations. We show that the \ndynamics of a strongly Bloch oscillating and weakly interacting atomic cloud can be discribed in terms of a novel effective “stroboscopic” diffusion equation. In this approximation, \nthe cloud’s radius R grows asymptotically in time t according to R ∼ t^1/5 .
We propose that negative absolute temperatures in ultracold atomic clouds in optical lattices can be used to simulate quantum systems in new regions of phase diagrams. First we discuss how the attractive SU(3) Hubbard model in three dimensions can be realized using repulsively interacting 173{}^{173}173Yb atoms, then we consider how an antiferromagnetic S=1S=1S=1 spin chain could be simulated using spinor 87{}^{87}87Rb or 23{}^{23}23Na atoms. The general idea to achieve negative absolute temperatures is to reverse the sign of the external harmonic potential. Energy conservation in a deep optical lattice imposes a constraint on the dynamics of the cloud, which can relax toward a T<0T<0T<0 state. As the process is strongly nonadiabatic, we estimate the change of the entropy.
This dissertation serves as a summary of my Ph.D. work numerically studying equilibrium and non-equilibrium properties of strongly-interacting one-dimensional (1D) boson systems. This work is motivated by the fact that 1D systems are realizable and highly controllable with ultracold atoms in optical lattice and atom chip experiments. We apply a recent worm algorithmic Monte Carlo approach developed for 1D continuous systems to study their equilibrium properties, both with and without an underlying lattice. We also apply an exact lattice approach based on the Bose-Fermi mapping to check our Monte Carlo results in the Tonks-Girardeau limit, and more importantly, to study far-from-equilibrium expansion dynamics of the systems. We first study the scaling of one-particle correlations of the harmonically trapped Lieb-Liniger gas with changing temperature and interaction strength. Based on the universal behaviors of the density and momentum profiles, we are able to determine the effective parameters needed to fully characterize the system. We also find that the Tonks-Girardeau limit at low temperatures is the ideal regime for the experimental observation of the 1/k41/k^41/k4 momentum tail. An extra periodic lattice can drive the transition from superfluid to Mott insulator states. Exact and complete phase diagrams for such transitions are available only in the weak interacting and deep lattice limit, in which the system can be described using one-band Bose-Hubbard model. Beyond this limit, we use the worm algorithm in continuous space to map out the phase diagrams at various interaction strengths. We compare our phase diagrams with one-band Bose-Hubbard predictions and identify the regime where the one-band description breaks down. We introduce an inverse confined scattering solution to obtain effective Hubbard parameters, with which the Bose-Hubbard model provides correct results for strong interactions and deep lattices at unit filling. In addition to the equilibrium properties, we also study the expansion dynamics of ultracold atoms in the hard-core limit. Experimentally, this is usually achieved by turning off confining potentials and letting atoms expand in optical lattices. Theoretical studies from initial ground states predicted the occurrence of fermionization of the momentum distribution after long expansion times. In addition, quasicondensation at finite momenta emerges when expanding from Mott insulating domains. Here, we develop a finite-temperature extension of the lattice approach for dynamics. We find the dynamical ferminoization of the momentum distributions at all temperatures. For expansion from initial Mott domains, we observe enhanced correlations reminiscent of dynamical quasicondensation. Surprisingly, we find the systems appear to cool down during the melting of the Mott domains. We use an emergent local Hamiltonian to understand these emergent phenomena.
Cutting-edge technology needs small, ultrafast devices, operational in a wide range of regimes. This calls for solids with novel, unconventional and tailorable properties. Great progress is expected from materials in which electron-electron and electron-phonon correlations strongly affect the dynamics ( i.e. "unforeseen" useful properties are expected to be most likely found in systems with complex behavior). In spite of the potentially huge technological pay-off, our understanding of these systems is rather incomplete, especially in non-equilibrium. Often, with knowledge of systems or phenomena at an early stage, it is rewarding to resort to model, simplified descriptions. This strategy is used in this thesis, where we study several models lattice systems via density-functional theory. The latter is a well established approach (in fact, it is the current method of choice) for investigations of real materials. In our research, we focussed on little understood properties of interacting many-particle systems, such as the time-dependent conduction properties of electronic devices in the presence of interactions, disorder, and lattice vibrations, or the expansion of ultracold fermion clouds in 3D optical lattices. All these systems were described in terms of Hubbard-type interactions for the electrons, and Holstein-type electron-phonon interactions. Our results show interesting features due to the interactions which depend on dimensionality; they also show a dynamical crossover for several properties, due to the competition between disorder and interaction. Finally, when lattice vibrations are included, we showed how it is possible to manipulate in a controlled way the nuclear dynamics of molecular device via fast electronic external fields, of potential interest for technologies employing nanomolecular motors.
This thesis describes experiments focused on investigating out-of-equilibrium phenomena in the Bose-Hubbard Model and exploring novel cooling techniques for ultracold gases in optical lattices. In the first experiment, we study quenches across the Mott-insulator-to-superfluid quantum phase transition in the 3D Bose-Hubbard Model. The quench is accomplished by continuously tuning the ratio of the Hubbard energies. We observe that the degree of excitation is proportional to the fraction of atoms that cross the phase boundary, and that the amount of excitations and energy produced during the quench have a power-law dependence on the quench rate. These phenomena suggest an excitation process analogous to the mechanism for defect generation in non-equilibrium classical phase transitions. This experiment constitutes the first observation of the Kibble-Zurek mechanism in a quantum quench. We have reported our findings in Ref. [1]. In a second experiment, published in Ref. [2], we investigate dissipation as a method for cooling a strongly interacting gas. We introduce dissipation via a bosonic reservoir to a strongly interacting bosonic gas in the Mott-insulator regime of a 3D spin-dependent optical lattice. The lattice atoms are excited to a higher energy band using laser-induced Bragg transitions. A weakly interacting superfluid comprised of atoms in a state that does not experience the lattice potential acts as a dissipative bath that interacts with the lattice atoms through collisions. We measure the resulting bath-induced decay using the atomic quasimomentum distribution, and we compare the decay rate with predictions from a weakly interacting model with no free parameters. A competing intrinsic decay mechanism arising from collisions between lattice atoms is also investigated. The presence of intrinsic decay can not be accommodated within a non-interacting framework and signals that strong interactions may play a central role in the lattice-atom dynamics. The intrinsic decay process we observe may negatively impact the success of cooling via dissipation because a fraction of intrinsic decay events can deposit a large amount of energy into the lattice gas. In a third experiment, we develop and carry out the first demonstration of cooling an atomic quasimomentum distribution. Our scheme, applied in a proof-of-principle experiment to 3D Bose-Hubbard gas in the superfluid regime, involves quasimomentum-selective Raman transitions. This experiment is motivated by the search of new cooling techniques for lattice-trapped gases. Efficient cooling exceeding heating rates is achieved by iteratively removing high quasimomentum atoms from the lattice. Quasimomentum equilibration, which is necessary for cooling, is investigated by directly measuring rethermalization rates after bringing the quasimomentum distribution of the gas out of equilibrium. The measured relaxation rate is consistent at high lattice depths with a short-range, two-particle scattering model without free parameters, despite an apparent violation of the Mott-Ioffe-Regel bound. Our results may have implications for models of unusual transport phenomena in materials with strong interactions, such as heavy fermion materials and transition metal oxides. The cooling method we have developed is applicable to any species, including fermionic atoms. Our results are available in Ref. [3]
We consider a cloud of fermionic atoms in an optical lattice described by a Hubbard model with an additional linear potential. While homogeneous interacting systems mainly show damped Bloch oscillations and heating, a finite cloud behaves differently: It expands symmetrically such that gains of potential energy at the top are compensated by losses at the bottom. Interactions stabilize the necessary heat currents by inducing gradients of the inverse temperature 1/T, with T<0 at the bottom of the cloud. An analytic solution of hydrodynamic equations shows that the width of the cloud increases with t^{1/3} for long times consistent with results from our Boltzmann simulations.
The impact of lattice vibrations on the electric conductivity has been considered a settled issue since the proof of the Migdal theorem. The precondition for its validity is a higher velocity of electronic than phononic excitation modes. In some new materials, e. g. weakly coupled spin chains and heavy fermion systems, this precondition is not fulfilled. The heat conductivity of such systems is calculated by means of perturbation theory in this work. Another subject is the interplay of Umklapp scattering and weak disorder in spin chains and one-dimensional correlated metals. Hidden conservation laws lead to a strong coupling between heat current and charge or spin current, respectively. The transport properties are calculated perturbatively within the hydrodynamic memory matrix formalism, which gives a lower bound to the conductivies. To calculate the Lorenz number of one-dimensional metals, we model within this formalism also the influence of phonons, which in physical systems contribute substantially to the heat current. The introduction of ultracold quantum gases in optical lattices in the recent years provides a powerful tool for the modeling of many systems to solid state physics, in particular systems out of equilibrium. The relatively slow dynamics of the cold atoms allows for time resolved imaging of the atoms and thus opens up new perspectives. In the last part of this thesis, a recent experiment, which measures the expansion of a correlated atom cloud in an optical lattice, is compared to a lattice Boltzmann simulation. Depending on the local density, the problem is shown to be described by the crossover from diffusive to ballistic transport.