Nonequilibrium System-Bath Entanglement Theorem Versus Heat Transport

doi:10.7503/cjcu20210317

Chem. J. Chinese Universities ›› 2021, Vol. 42 ›› Issue (7): 2155.doi: 10.7503/cjcu20210317

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Nonequilibrium System-Bath Entanglement Theorem Versus Heat Transport

DU Pengli, CHEN Zihao, SU Yu, WANG Yao(), XU Ruixue, YAN Yijing()

Hefei National Laboratory for Physical Sciences at the Microscale，Department of Chemical Physics，Synergetic Innovation Center of Quantum Information and Quantum Physics，Collaborative Innovation Center of Chemistry for Energy Materials（iChEM），University of Science and Technology of China，Hefei 230026，China

Received:2021-05-07 Online:2021-07-10 Published:2021-06-15
Contact: WANG Yao E-mail:wy2010@ustc.edu.cn;yanyj@ustc.edu.cn
Supported by:
the National Key Research and Development Program of China(2017YFA0204904);the National Natural Science Foundation of China(21633006)

Abstract

Abstract:

In this work， we extend the recently established system-bath entanglement theorem（SBET） to the nonequilibrium scenario， in which an arbitrary system couples to multiple Gaussian bath environments at different temperatures. The existing SBET connects the entangled system-bath response functions to those of local systems， while the extended theory is concerned with the nonequilibrium steady-state quantum transport current through molecular junctions. The new theory is established on the basis of the generalized Langevin equation， with a close relation to nonequilibrium thermodynamics in the quantum regime.

Key words: System-bath entanglement theorem, Generalized Langevin equation, Nonequilibrium Green’s function, Quantum transport

CLC Number:

O641

TrendMD:

DU Pengli, CHEN Zihao, SU Yu, WANG Yao, XU Ruixue, YAN Yijing. Nonequilibrium System-Bath Entanglement Theorem Versus Heat Transport[J]. Chem. J. Chinese Universities, 2021, 42(7): 2155.

Figures/Tables 1

Table 1 Direct versus indirect approach to the heat current JL, as expressed in Eq.(27)

$T R / T L$	0.5	1	1.5	2.0
Direct approach	0.01484	0	-0.008757	-0.01435
Indirect approach	0.01487	0	-0.008773	-0.01435

Table 1 Direct versus indirect approach to the heat current JL, as expressed in Eq.(27)

$T R / T L$	0.5	1	1.5	2.0
Direct approach	0.01484	0	-0.008757	-0.01435
Indirect approach	0.01487	0	-0.008773	-0.01435

References 23

1	Schwinger J.， J. Math. Phys.， 1961，2，407—432
2	Keldysh L. V.， Sov. Phys. JETP， 1965，20，1018
3	Du P. L.， Wang Y.， Xu R. X.， Zhang H. D.， Yan Y. J.， J. Chem. Phys.， 2020， 152， 034102
4	Gong H.， Wang Y.， Zhang H. D.， Xu R. X.， Zheng X.， Yan Y. J.， J. Chem. Phys.， 2020， 153， 214115
5	Weiss U.， Quantum Dissipative Systems， 4rd Ed.， World Scientific， Singapore， 2012
6	Yan Y. J.， Xu R. X.， Annu. Rev. Phys. Chem.， 2005， 56， 187—219
7	Feynman R. P.， Vernon F. L. Jr.， Ann. Phys.， 1963， 24， 118—173
8	Tanimura Y.， Phys. Rev. A， 1990， 41， 6676—6687
9	Tanimura Y.， J. Phys. Soc. Jpn.， 2006， 75， 082001
10	Yan Y. A.， Yang F.， Liu Y.， Shao J. S.， Chem. Phys. Lett.， 2004， 395， 216—221
11	Xu R. X.， Cui P.， Li X. Q.， Mo Y.， Yan Y. J.， J. Chem. Phys.， 2005， 122， 041103
12	Xu R. X.， Yan Y. J.， Phys. Rev. E， 2007， 75， 031107
13	Jin J. S.， Zheng X.， Yan Y. J.， J. Chem. Phys.， 2008， 128， 234703
14	Zheng X.， Xu R. X.， Xu J.， Jin J. S.， Hu J.， Yan Y. J.， Prog. Chem.， 2012， 24， 1129—1152
15	Yan Y. J.， Jin J. S.， Xu R. X.， Zheng X.， Frontiers Phys.， 2016， 11， 110306
16	Song L.， Shi Q.， Phys. Rev. B， 2017， 95， 064308
17	Esposito M.， Ochoa M. A.， Galperin M.， Phys. Rev. B， 2015，92， 235440
18	Schmidt R.， Carusela M. F.， Pekola J. P.， Suomela S.， Ankerhold J.， Phys. Rev. B， 2015， 91， 224303
19	Yan Y. J.， J. Chem. Phys.， 2014， 140， 054105
20	Zhang H. D.， Xu R. X.， Zheng X.， Yan Y. J.， Mol. Phys.，2018， 116， 780—812
21	Wang Y.， Xu R. X.， Yan Y. J.， J. Chem. Phys.， 2020， 152， 041102
22	Umezawa H.， Advanced Field Theory： Micro， Macro， and Thermal Physics， Springer， New York， 1995
23	Meir Y.， Wingreen N. S.， Phys. Rev. Lett.， 1992， 68， 2512—2515

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Nonequilibrium System-Bath Entanglement Theorem Versus Heat Transport

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