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Journal of Physics Conference Series

Microscopic treatment of energy dissipation and decoherence via many-body Lindblad superoperators

Roberto Rosati, Rita Claudia Iotti, Fabrizio Dolcini, Fausto Rossi

Published Oct 13, 2015• 2 citations
Publisher

Abstract

Starting from a recent reformulation of the Markov limit, we apply the mean- field approximation to the resulting Lindblad-type many-electron dynamics, and derive a closed equation of motion for the electronic single-particle density matrix in the presence of one- and two-body scattering mechanisms. The proposed formulation preserves the positive- definite character of the single-particle density matrix. This result is in striking contrast with conventional Markov approaches, where the single-particle mean-field equations can lead to positivity violations and therefore to unphysical results.

DOI
10.1088/1742-6596/647/1/012027

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Starting from a recent reformulation of the Markov limit, we apply the mean- field approximation to the resulting Lindblad-type many-electron dynamics, and derive a closed equation of motion for the electronic single-particle density matrix in the presence of one- and two-body scattering mechanisms. The proposed formulation preserves the positive- definite character of the single-particle density matrix. This result is in striking contrast with conventional Markov approaches, where the single-particle mean-field equations can lead to positivity violations and therefore to unphysical results.
A recently proposed Markov approach provides Lindblad-type scattering superoperators, which ensure the physical (positive-definite) character of the many-body density matrix. We apply the mean-field approximation to such a many-body equation, in the presence of one- and two-body scattering mechanisms, and we derive a closed equation of motion for the electronic single-particle density matrix, which turns out to be nonlinear as well as non-Lindblad. We prove that, in spite of its nonlinear and non-Lindblad structure, the mean-field approximation does preserve the positive-definite character of the single-particle density matrix, an essential prerequisite of any reliable kinetic treatment of semiconductor quantum devices. This result is in striking contrast with conventional (non-Lindblad) Markov approaches, where the single-particle mean-field equations can lead to positivity violations and thus to unphysical results. Furthermore, the proposed single-particle formulation is extended to the case of quantum systems with spatial open boundaries, providing a formal derivation of a recently proposed density-matrix treatment based on a Lindblad-like system-reservoir scattering superoperator.
We derive a local equation of motion for the electronic single-particle density matrix in the presence of one- as well as two-body scattering processes. This is done by applying the mean-field approximation to the many-electron dynamics obtained via a recently proposed Markov limit, able to furnish many-body Lindblad-type scattering superoperators. The resulting time evolution at finite/high carrier densities turns out to be non-linear (and therefore non-Lindblad), and to recover a Lindblad form in the low-density limit.
A general density-matrix description of energy-dissipation and decoherence phenomena in open quantum systems is presented. More specifically, contrary to the conventional single-particle correlation expansion, we shall investigate the effect of the adiabatic or Markov limit, before considering/performing any reduction procedure. Our fully operatorial approach allows us to better identify the general properties of the scattering superoperators entering our effective quantum-transport theory at various description levels. In particular, we shall show that—contrary to the semiclassical case—the conventional Markov limit does not preserve the positive-definite character of the corresponding density matrix, thus leading to highly non-physical results. To overcome this serious limitation, originally pointed out and partially solved by Davies and co-workers almost three decades ago, we shall propose an alternative and more general adiabatic procedure, which (i) in the semiclassical limit reduces to the standard Fermi's golden rule, and (ii) describes a genuine Lindblad evolution, thus providing a reliable/robust treatment of energy-dissipation and dephasing processes in semiconductor quantum devices
We shall revisit the conventional adiabatic or Markov approximation, which — contrary to the semiclassical case– does not preserve the positive-definite character of the corresponding density matrix, thus leading to highly non-physical results. To overcome this serious limitation, originally addressed by Davies and co-workers almost three decades ago, we shall propose an alternative more general adiabatic procedure, able to provide a reliable/robust treatment of energy-dissipation and dephasing processes in electronic quantum devices. Unlike standard master-equation formulations, our procedure guarantees a positive evolution for a variety of physical subsystem (including the common partial trace), and quantum scattering rates are well defined even for subsystems with internal structure/ continuous energy spectrum. We shall compare the proposed Markov dissipation model with the conventional one also through basic simulations of energy-relaxation versus decoherence channels in prototypical semiconductor nanodevices.
Microscopic master equations have gained traction for the dissipative treatment of molecular spin and solid-state systems for quantum technologies. Single particle approximations are often invoked to treat these systems, which can lead to unphysical evolution when combined with master equation approaches. We present a mathematical constraint on the system-environment parameters to ensure that microscopically-derived Markovian master equations preserve fermionic, NNN-representable statistics when applied to reduced systems. We demonstrate these constraints for the recently derived unified master equation and universal Lindblad equation, along with the Redfield master equation for cases when positivity issues are not present. For operators that break the constraint, we explore the addition of Pauli factors to recover NNN-representability. This work promotes feasible applications of novel microscopic master equations for realistic chemical systems.
We shall revisit the conventional adiabatic or Markov approximation, which --contrary to the semiclassical case-- does not preserve the positive-definite character of the corresponding density matrix, thus leading to highly non-physical results. To overcome this serious limitation, originally pointed out and partially solved by Davies and co-workers almost three decades ago, we shall propose an alternative more general adiabatic procedure, which (i) is physically justified under the same validity restrictions of the conventional Markov approach, (ii) in the semiclassical limit reduces to the standard Fermi's golden rule, and (iii) describes a genuine Lindblad evolution, thus providing a reliable/robust treatment of energy-dissipation and dephasing processes in electronic quantum devices. Unlike standard master-equation formulations, the dependence of our approximation on the specific choice of the subsystem (that include the common partial trace reduction) does not threaten positivity, and quantum scattering rates are well defined even in case the subsystem is infinitely extended/has continuous spectrum.