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arXiv:0911.1584 · Physical Review E

Dissipative quantum systems and the heat capacity

Sushanta Dattagupta, Jishad Kumar, Subhasis Sinha, P. A. Sreeram

Published Mar 31, 2010• 28 citations
arXivHTMLPDF

Abstract

We present a detailed study of the quantum dissipative dynamics of a charged particle in a magnetic field. Our focus of attention is the effect of dissipation on the low- and high-temperature behaviors of the specific heat at constant volume. After providing a brief overview of two distinct approaches to the statistical mechanics of dissipative quantum systems, viz., the ensemble approach of Gibbs and the quantum Brownian motion approach due to Einstein, we present exact analyses of the specific heat. While the low-temperature expressions for the specific heat, based on the two approaches, are in conformity with power-law temperature dependence, predicted by the third law of thermodynamics, and the high-temperature expressions are in agreement with the classical equipartition theorem, there are surprising differences between the dependencies of the specific heat on different parameters in the theory, when calculations are done from these two distinct methods. In particular, we find puzzling influences of boundary confinement and the bath-induced spectral cutoff frequency. Further, when it comes to the issue of approach to equilibrium, based on the Einstein method, the way the asymptotic limit (t-->infinity) is taken seems to assume significance.

DOI
10.1103/physreve.81.031136

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We present a detailed study of the quantum dissipative dynamics of a charged particle in a magnetic field. Our focus of attention is the effect of dissipation on the low- and high-temperature behaviors of the specific heat at constant volume. After providing a brief overview of two distinct approaches to the statistical mechanics of dissipative quantum systems, viz., the ensemble approach of Gibbs and the quantum Brownian motion approach due to Einstein, we present exact analyses of the specific heat. While the low-temperature expressions for the specific heat, based on the two approaches, are in conformity with power-law temperature dependence, predicted by the third law of thermodynamics, and the high-temperature expressions are in agreement with the classical equipartition theorem, there are surprising differences between the dependencies of the specific heat on different parameters in the theory, when calculations are done from these two distinct methods. In particular, we find puzzling influences of boundary confinement and the bath-induced spectral cutoff frequency. Further, when it comes to the issue of approach to equilibrium, based on the Einstein method, the way the asymptotic limit (t-->infinity) is taken seems to assume significance.
The quantum thermodynamic behavior of small systems is investigated in presence of finite quantum dissipation. We consider the archetype cases of a damped harmonic oscillator and a free quantum Brownian particle. A main finding is that quantum dissipation helps to ensure the validity of the Third Law. For the quantum oscillator, finite damping replaces the zero-coupling result of an exponential suppression of the specific heat at low temperatures by a power-law behavior. Rather intriguing is the behavior of the free quantum Brownian particle. In this case, quantum dissipation is able to restore the Third Law: Instead of being constant down to zero temperature, the specific heat now vanishes proportional to temperature with an amplitude that is inversely proportional to the ohmic dissipation strength. A distinct subtlety of finite quantum dissipation is the result that the various thermodynamic functions of the sub-system do not only depend on the dissipation strength but depend as well on the prescription employed in their definition.
We consider a free particle coupled with finite strength to a bath and investigate the evaluation of its specific heat. A harmonic oscillator bath of Drude type with cutoff frequency ω D is employed to model an ohmic friction force with dissipation strength γ. Two scenarios for obtaining specific heat are presented. The first one uses the measurement of the kinetic energy of the free particle, while the second one is based on the reduced partition function. Both descriptions yield results which are consistent with the Third Law of thermodynamics. Nevertheless, the two methods produce different results that disagree even in their leading quantum corrections at high temperatures. We also consider the regime where the cutoff frequency is smaller than the friction strength, i.e. ω D < γ. There, we encounter puzzling results at low temperatures where the specific heat based on the thermodynamic prescription becomes negative. This anomaly is rooted in an ill-defined density of states of the damped free particle, which assumes unphysical negative values when γ/ω D > 1.
The quantum thermodynamic behavior of small systems is investigated in presence of finite quantum dissipation. We consider the archetype cases of a damped harmonic oscillator and a free quantum Brownian particle. A main finding is that quantum dissipation helps to ensure the validity of the Third Law. For the quantum oscillator, finite damping replaces the zero-coupling result of an exponential suppression of the specific heat at low temperatures by a power-law behavior. Rather intriguing is the behavior of the free quantum Brownian particle. In this case, quantum dissipation is able to restore the Third Law: Instead of being constant down to zero temperature, the specific heat now vanishes proportional to temperature with an amplitude that is inversely proportional to the ohmic dissipation strength. A distinct subtlety of finite quantum dissipation is the result that the various thermodynamic functions of the sub-system do not only depend on the dissipation strength but depend as well on the prescription employed in their definition.
In this paper, we formulate and study the quantum counterpart of the energy equipartition theorem for a charged quantum particle moving in a harmonic potential in the presence of a uniform external magnetic field and linearly coupled to a passive quantum heat bath through coordinate variables. The bath is modeled as a collection of independent quantum harmonic oscillators. We derive closed form expressions for the mean kinetic and potential energies of the charged dissipative magneto-oscillator in the forms ${E}_{k}=\ensuremath{\langle}{\mathcal{E}}_{k}\ensuremath{\rangle}$ and ${E}_{p}=\ensuremath{\langle}{\mathcal{E}}_{p}\ensuremath{\rangle}$, respectively, where Ek{\mathcal{E}}_{k}Ek​ and Ep{\mathcal{E}}_{p}Ep​ denote the average kinetic and potential energies of individual thermostat oscillators. The net averaging is twofold; the first one is over the Gibbs canonical state for the thermostat, giving Ek{\mathcal{E}}_{k}Ek​ and Ep{\mathcal{E}}_{p}Ep​, and the second one, denoted by $\ensuremath{\langle}\ifmmode\cdot\else\textperiodcentered\fi{}\ensuremath{\rangle}$, is over the frequencies $\ensuremath{\omega}$ of the bath oscillators which contribute to Ek{E}_{k}Ek​ and Ep{E}_{p}Ep​ according to probability distributions ${\mathcal{P}}_{k}(\ensuremath{\omega})$ and ${\mathcal{P}}_{p}(\ensuremath{\omega})$, respectively. The relationship of the present quantum version of the equipartition theorem with that of the fluctuation-dissipation theorem (within the linear-response theory framework) is also explored. Further, we investigate the influence of the external magnetic field and the effect of different dissipation processes through Gaussian decay and Drude and radiation bath spectral density functions on the typical properties of ${\mathcal{P}}_{k}(\ensuremath{\omega})$ and ${\mathcal{P}}_{p}(\ensuremath{\omega})$. Finally, the role of system-bath coupling strength and the memory effect is analyzed in the context of average kinetic and potential energies of the dissipative charged magneto-oscillator.
The Brownian motion of a quantum particle in a harmonic confining potential and coupled to harmonic quantum thermal bath is exactly solvable. Though this system presents at high temperatures a pedagogic example to explain the laws of thermodynamics, it is shown that at low enough temperatures the stationary state is non-Gibbsian due to an entanglement with the bath. In physical terms, this happens when the cloud of bath modes around the particle starts to play a nontrivial role, namely, when the bath temperature T is smaller than the coupling energy. Indeed, equilibrium thermodynamics of the total system, particle plus bath, does not imply standard equilibrium thermodynamics for the particle itself at low T. Various formulations of the second law are found to be invalid at low T. First, the Clausius inequality can be violated, because heat can be extracted from the zero point energy of the cloud of bath modes. Second, when the width of the confining potential is suddenly changed, there occurs a relaxation to equilibrium during which the entropy production is partly negative. In this process the energy put on the particle does not relax monotonically, but oscillates between particle and bath, even in the limit of strong damping. Third, for nonadiabatic changes of system parameters the rate of energy dissipation can be negative, and, out of equilibrium, cyclic processes are possible which extract work from the bath. Conditions are put forward under which perpetuum mobility of the second kind, having one or several work extraction cycles, enter the realm of condensed matter physics. Fourth, it follows that the equivalence between different formulations of the second law (e.g., those by Clausius and Thomson) can be violated at low temperatures. These effects are the consequence of quantum entanglement in the presence of the slightly off-equilibrium nature of the thermal bath, and become important when the characteristic quantum time scale variant Planck's over 2pi /k(B)T is larger than or comparable to other time scales of the system. They show that there is no general consensus between standard thermodynamics and quantum mechanics. The known agreements occur only due to the weak coupling limit, which does not pertain to low temperatures. Experimental setups for testing the effects are discussed.
Starting from a quantum Langevin equation (QLE) of a charged particle coupled to a heat bath in the presence of an external magnetic field, we present a fully dynamical calculation of the susceptibility tensor. In a different ‘equilibrium approach’, we further evaluate the position autocorrelation function by using the Gibbs ensemble. This quantity is shown to be related to the imaginary part of the dynamical susceptibility, thereby validating the fluctuation–dissipation theorem in the context of dissipative diamagnetism. Finally, we present an overview of coherence-to-decoherence transition in the realm of dissipative diamagnetism at zero temperature. The analysis underscores the importance of the details of the relevant physical quantity, as far as coherence-to-decoherence transition is concerned.