Reconciling perturbative approaches in phonon-assisted transport junctions

作者: Bijay Kumar Agarwalla , Dvira Segal

DOI: 10.1063/1.4941582

关键词: Coupling (physics)ScatteringQuantum master equationPhononScalingQuantum mechanicsMaster equationPhysicsHarmonic (mathematics)Thermal conduction

摘要: We present consistent results for molecular conduction using two central-complementary approaches: the non-equilibrium Green’s function technique and quantum master equation method. Our model describes electronic in a donor-acceptor junction which electron transfer is coupled to nuclear motion, modeled by harmonic vibrational mode. This primary mode further secondary phonon modes, thermal bath. Assuming weak electron-phonon coupling but an arbitrary large molecule-metal hybridization, we compute several transport quantities: mean number of mode, charge current statistics. scaling relations cumulants valid voltage regime. analysis illustrates that method can be worked out consistently, when taking into account corresponding scattering processes.

参考文章(81)
Brian Capozzi, Jianlong Xia, Olgun Adak, Emma J. Dell, Zhen-Fei Liu, Jeffrey C. Taylor, Jeffrey B. Neaton, Luis M. Campos, Latha Venkataraman, Single-molecule diodes with high rectification ratios through environmental control Nature Nanotechnology. ,vol. 10, pp. 522- 527 ,(2015) , 10.1038/NNANO.2015.97
D. Mozyrsky, I. Martin, Quantum-classical transition induced by electrical measurement. Physical Review Letters. ,vol. 89, pp. 018301- ,(2002) , 10.1103/PHYSREVLETT.89.018301
Wenjie Dou, Abraham Nitzan, Joseph E. Subotnik, Surface hopping with a manifold of electronic states. III. Transients, broadening, and the Marcus picture Journal of Chemical Physics. ,vol. 142, pp. 234106- 234106 ,(2015) , 10.1063/1.4922513
Bijay Kumar Agarwalla, Jian-Hua Jiang, Dvira Segal, Thermoelectricity in molecular junctions with harmonic and anharmonic modes. Beilstein Journal of Nanotechnology. ,vol. 6, pp. 2129- 2139 ,(2015) , 10.3762/BJNANO.6.218
Baowen Li, Jian-Sheng Wang, Bijay Kumar Agarwalla, Counting statistics of heat transport in harmonic junctions -- transient and steady states arXiv: Statistical Mechanics. ,(2011) , 10.1103/PHYSREVE.85.051142
Bogdan Popescu, Ulrich Kleinekathöfer, Treatment of time-dependent effects in molecular junctions physica status solidi (b). ,vol. 250, pp. 2288- 2297 ,(2013) , 10.1002/PSSB.201349172
Massimiliano Esposito, Maicol A. Ochoa, Michael Galperin, Efficiency fluctuations in quantum thermoelectric devices Physical Review B. ,vol. 91, pp. 115417- ,(2015) , 10.1103/PHYSREVB.91.115417
Yoshitaka Tanimura, Stochastic Liouville, Langevin, Fokker–Planck, and Master Equation Approaches to Quantum Dissipative Systems Journal of the Physical Society of Japan. ,vol. 75, pp. 082001- ,(2006) , 10.1143/JPSJ.75.082001
D. F. Urban, R. Avriller, A. Levy Yeyati, Nonlinear effects of phonon fluctuations on transport through nanoscale junctions Physical Review B. ,vol. 82, pp. 121414- ,(2010) , 10.1103/PHYSREVB.82.121414