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Bulletin of the American Physical Society

Non-equilibrium properties of a Mott insulator in an external electric field

Volodymyr Turkowski, James K. Freericks, V. Zlatić

Published Mar 21, 2005• 0 citations
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Correlated systems are a wide class of materials in which the strong electron-electron repulsion is the origin of very fascinating and unusual properties, among which metal-to-insulator transitions and high temperature superconductivity are the most striking examples. In the recent years, the fast development of non-adiabatic probing techniques opened new interesting perspectives for the investigation of such materials in non-equilibrium conditions. In this thesis, we discuss the theoretical description of few relevant cases which represent different examples of non-equilibrium phenomena in correlated materials. In particular, we will focus on the dynamics following a sudden excitation and the coupling to an external driving field. As a first example we consider the dynamics across a phase transition, namely we explore the possibility of driving a phase transition as the result of a sudden excitation, as e.g. the coupling with a short light pulse. We consider systems showing different equilibrium phases and study the conditions under which the off-equilibrium dynamics may lead to non-trivial dynamical phase transitions. A different case is represented by the dynamics induced by a driving electric field. This problem is particularly relevant for the possible applications of correlated materials in electronic devices. Here we consider the paradigmatic case of a correlated material coupled to external sources which impose a finite bias across the system. We analyze the formation and the properties of the non-equilibrium stationary states in which a finite current flows through the system. This allows us to study the non-linear response properties of a correlated system. In this context, a particularly relevant aspect is the problem of the dielectric breakdown of a Mott insulator, namely the formation of conducting states in the Mott insulating phase. In this thesis we explore different mechanisms leading to such possibility. First we discuss a quantum tunneling mechanism of carriers driven across the insulating gap by the effect of strong electric-fields. Eventually, we discuss the possibility of a resistive transition from an insulating to a metallic state induced by the application of an external electric-field.

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Novel physics arises when strongly correlated system is driven out of equilibrium by external fields. Dramatic changes in physical properties, such as conductivity, are empirically observed in strongly correlated materials under high electric field. In particular, electric-field driven metal-insulator transitions are well-known as the resistive switching effect in a variety of materials, such as VO$_2$, V$_2$O$_3$ and other transition metal oxides. To satisfactorily explain both the phenomenology and its underlying mechanism, it is required to model microscopically the out-of-equilibrium dissipative lattice system of interacting electrons. In this thesis, we developed a systematic method of modeling non-equilibrium steady states for dissipative lattice systems by means of Non-equilibrium Green's function and Dynamical Mean Field Theory. We firstly establish a "minimum model" to formulate the strong-field transport in non-interacting dissipative electron lattice. This model is exactly soluble and convenient for discussing energy dissipation and steady-state properties. The formalism is then combined with Dynamical Mean Field Theory to provide a systematic framework describing the nonequilibrium steady-state of correlated materials. We use the formalism to study the strong-field transport properties of correlated materials, Mott insulators and Dirac electrons in graphene. We concentrate on the microscopic description of resistive switching. Of particular interest is the filament formation during the dynamical phase transition, which has been interpreted as a result of the delicate interplay between dissipation and Mott physics. We will also examine $IV$ characteristics and particularly the current saturation of Dirac electrons in graphene. The arXiv version has been updated with minor modifications and corrections.

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Correlated systems are a wide class of materials in which the strong electron-electron repulsion is the origin of very fascinating and unusual properties, among which metal-to-insulator transitions and high temperature superconductivity are the most striking examples. In the recent years, the fast development of non-adiabatic probing techniques opened new interesting perspectives for the investigation of such materials in non-equilibrium conditions. In this thesis, we discuss the theoretical description of few relevant cases which represent different examples of non-equilibrium phenomena in correlated materials. In particular, we will focus on the dynamics following a sudden excitation and the coupling to an external driving field. As a first example we consider the dynamics across a phase transition, namely we explore the possibility of driving a phase transition as the result of a sudden excitation, as e.g. the coupling with a short light pulse. We consider systems showing different equilibrium phases and study the conditions under which the off-equilibrium dynamics may lead to non-trivial dynamical phase transitions. A different case is represented by the dynamics induced by a driving electric field. This problem is particularly relevant for the possible applications of correlated materials in electronic devices. Here we consider the paradigmatic case of a correlated material coupled to external sources which impose a finite bias across the system. We analyze the formation and the properties of the non-equilibrium stationary states in which a finite current flows through the system. This allows us to study the non-linear response properties of a correlated system. In this context, a particularly relevant aspect is the problem of the dielectric breakdown of a Mott insulator, namely the formation of conducting states in the Mott insulating phase. In this thesis we explore different mechanisms leading to such possibility. First we discuss a quantum tunneling mechanism of carriers driven across the insulating gap by the effect of strong electric-fields. Eventually, we discuss the possibility of a resistive transition from an insulating to a metallic state induced by the application of an external electric-field.
Novel physics arises when strongly correlated system is driven out of equilibrium by external fields. Dramatic changes in physical properties, such as conductivity, are empirically observed in strongly correlated materials under high electric field. In particular, electric-field driven metal-insulator transitions are well-known as the resistive switching effect in a variety of materials, such as VO2_22​, V2_22​O3_33​ and other transition metal oxides. To satisfactorily explain both the phenomenology and its underlying mechanism, it is required to model microscopically the out-of-equilibrium dissipative lattice system of interacting electrons. In this thesis, we developed a systematic method of modeling non-equilibrium steady states for dissipative lattice systems by means of Non-equilibrium Green's function and Dynamical Mean Field Theory. We firstly establish a "minimum model" to formulate the strong-field transport in non-interacting dissipative electron lattice. This model is exactly soluble and convenient for discussing energy dissipation and steady-state properties. The formalism is then combined with Dynamical Mean Field Theory to provide a systematic framework describing the nonequilibrium steady-state of correlated materials. We use the formalism to study the strong-field transport properties of correlated materials, Mott insulators and Dirac electrons in graphene. We concentrate on the microscopic description of resistive switching. Of particular interest is the filament formation during the dynamical phase transition, which has been interpreted as a result of the delicate interplay between dissipation and Mott physics. We will also examine IVIVIV characteristics and particularly the current saturation of Dirac electrons in graphene. The arXiv version has been updated with minor modifications and corrections.