Phononic heat transport in the transient regime: An analytic solution

Tuovinen, Riku; Säkkinen, Niko; Karlsson, Daniel; Stefanucci, Gianluca; Leeuwen, Robert van

doi:10.1103/physrevb.93.214301

Cited by 32 publications

(49 citation statements)

References 84 publications

(167 reference statements)

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“…Recently, linear response proposals in close relation to thermodynamics have been formulated for open quantum systems and quasiclassical systems under periodic driving [13,[31][32][33]. The proper definition of the heat exchange between a quantum driven system and its macroscopic environment has been recently addressed in the context of few-level or spin systems in contact to phononic baths [34][35][36] and in systems of coupled quantum harmonic oscillators [37][38][39].…”

Section: Introductionmentioning

confidence: 99%

Dynamics of energy transport and entropy production in ac-driven quantum electron systems

et al. 2016

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We analyze the time-resolved energy transport and the entropy production in ac-driven quantum coherent electron systems coupled to multiple reservoirs at finite temperature. At slow driving, we formulate the first and second laws of thermodynamics valid at each instant of time. We identify heat fluxes flowing through the different pieces of the device and emphasize the importance of the energy stored in the contact and central regions for the second law of thermodynamics to be instantaneously satisfied. In addition, we discuss conservative and dissipative contributions to the heat flux and to the entropy production as a function of time. We illustrate these ideas with a simple model corresponding to a driven level coupled to two reservoirs with different chemical potentials.

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Section: Introductionmentioning

confidence: 99%

Dynamics of energy transport and entropy production in ac-driven quantum electron systems

et al. 2016

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“…The latter has been previously used for time-resolved electron transport [ 55 , 56 , 57 ]. Unlike recent related approaches with limited application range (in terms of an atomistic treatment of the underlying system) [ 61 , 62 , 63 ], our method can be efficiently combined with an atomistic description as implemented in standard first-principle or parameterized approaches.…”

Section: Atomistic Framework For Time-dependent Thermal Transportmentioning

confidence: 99%

“…Hereafter,

is taken. The time evolution of the heat flux is related to the lesser GF as [ 62 , 63 ]:

…”

Section: Atomistic Framework For Time-dependent Thermal Transportmentioning

confidence: 99%

“…The description of such phenomena requires in many instances to work in the time domain, which is very challenging from a numerical point of view. Although noticeable progress has been achieved in dealing with time-dependent spin [ 53 , 54 ] and electron [ 55 , 56 , 57 , 58 , 59 , 60 ] transport, much less attention has been paid to vibrational degrees of freedom [ 61 , 62 , 63 ].…”

Section: Introductionmentioning

confidence: 99%

See 1 more Smart Citation

Quantum Phonon Transport in Nanomaterials: Combining Atomistic with Non-Equilibrium Green’s Function Techniques

Sandonas

Gutiérrez

Cuniberti

2019

Entropy

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A crucial goal for increasing thermal energy harvesting will be to progress towards atomistic design strategies for smart nanodevices and nanomaterials. This requires the combination of computationally efficient atomistic methodologies with quantum transport based approaches. Here, we review our recent work on this problem, by presenting selected applications of the PHONON tool to the description of phonon transport in nanostructured materials. The PHONON tool is a module developed as part of the Density-Functional Tight-Binding (DFTB) software platform. We discuss the anisotropic phonon band structure of selected puckered two-dimensional materials, helical and horizontal doping effects in the phonon thermal conductivity of boron nitride-carbon heteronanotubes, phonon filtering in molecular junctions, and a novel computational methodology to investigate time-dependent phonon transport at the atomistic level. These examples illustrate the versatility of our implementation of phonon transport in combination with density functional-based methods to address specific nanoscale functionalities, thus potentially allowing for designing novel thermal devices.Entropy 2019, 21, 735 2 of 29 applications in nanoelectronics [7,8], renewable energy harvesting [9,10], nano-and optomechanical devices [11], quantum technologies [12,13], and therapies, diagnostics, and medical imaging [14].An important milestone in the field was the theoretically predicted [15] and subsequently measured quantization of the phononic thermal conductance in mesoscopic structures [16] at low temperatures, this result building the counterpart of the well-known quantization of the electrical conductance in quantum point contacts and other nanostructures (with conductance quantum given by e 2 /h, e being the electron charge and h Planck constant). Thermal conductance quantization has also been found in smaller nanostructures, such as gold wires, where quantized thermal conductance at room temperature was shown down to single-atom junctions [17,18]. The issue is, however, still a subject of debate (see, e.g., [19] for a recent discussion). In contrast to the electrical conductance quantization, the quantum of thermal conductance κ 0 depends, however, on the absolute temperature T through: κ 0 = π 2 k 2 B T/3h, with k B being the Boltzmann constant. This highlights a first important difference between charge and phonon transport. The second one is related to the different energy windows determining the corresponding transport properties: for electrons, the important window lies around the Fermi level, while, for phonons, the conductance results from an integral involving the full vibrational spectrum. Working with a broad spectrum of excitations poses major challenges when it comes to designing thermal devices such as cloaks and rectifiers [2,4], or for information processing in phonon-based computing [6].From the experimental perspective, it is obviously more difficult to tune heat flow than electrical currents. Unlike electrons, phonons are quasi-particle...

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“…Specifically, in the original work the transport features of the single-impurity Anderson model (SIAM) are linked to the spectral function of the system coupled to the leads in both the Coulomb blockade and Kondo regimes. The Meir-Wingreen expression, which holds in the stationary state, has also been extended to transient times allowing us to study transport in driven systems [16][17][18][19][20]. The energy current is defined as the variation of the Hamiltonian of the lead; in this case one obtains an expression analogous to the Meir-Wingreen one for particle current, which holds for both interacting and noninteracting systems provided that the leads are assumed to be noninteracting.…”

Section: Introductionmentioning

confidence: 99%

Study of the energy variation in many-body open quantum systems: Role of interactions in the weak and strong coupling regimes

Talarico¹,

Maniscalco²,

Gullo³

2020

Phys. Rev. B

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We derive an expression for the rate of change of the energy of an interacting many-body system connected to macroscopic leads. We show that the energy variation is the sum of contributions from each different lead. Unlike the charge current each of these contributions can differ from the rate of change of the energy of the lead. We demonstrate that the discrepancy between the two is due to the direct exchange of energy among the considered lead and all other leads. We conclude that the microscopic mechanism behind it is virtual processes via the interacting central region. We also speculate on what are the implications of our findings in the calculation of the thermal conductance of an interacting system.

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Phononic heat transport in the transient regime: An analytic solution

Cited by 32 publications

References 84 publications

Dynamics of energy transport and entropy production in ac-driven quantum electron systems

Dynamics of energy transport and entropy production in ac-driven quantum electron systems

Quantum Phonon Transport in Nanomaterials: Combining Atomistic with Non-Equilibrium Green’s Function Techniques

Study of the energy variation in many-body open quantum systems: Role of interactions in the weak and strong coupling regimes

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