Dynamics of a One-Dimensional Holstein Polaron with the Hierarchical Equations of Motion Approach

被引：69

作者：

Chen, Lipeng ^{[1
]}

Zhao, Yang ^{[1
]}

Tanimura, Yoshitaka ^{[2
]}

机构：

[1] Nanyang Technol Univ, Div Mat Sci, Singapore 639798, Singapore

[2] Kyoto Univ, Grad Sch Sci, Dept Chem, Kyoto 6068502, Japan

来源：

JOURNAL OF PHYSICAL CHEMISTRY LETTERS | 2015年 / 6卷 / 15期

基金：

新加坡国家研究基金会;

关键词：

ENERGY-BAND THEORY; PATH-INTEGRALS; QUANTUM SYSTEM; TIME; EMISSION;

D O I：

10.1021/acs.jpclett.5b01368

中图分类号：

O64 [物理化学（理论化学）、化学物理学];

学科分类号：

070304 ; 081704 ;

摘要：

Dynamics of a one-dimensional Holstein molecular crystal model is investigated by making use of the hierarchical equations of motion (HEOM) introduced by Tanimura and Kubo [J. Phys. Soc. Jpn. 1989, 104, 101]. Our extended, numerically exact HEOM approach is capable of treating exciton-phonon coupling in a nonperturbative manner and is applicable to any temperature. It is revealed that strong exciton phonon coupling leads to excitonic localization, while a large exciton transfer integral facilitates exciton transport. Temperature effects on excitonic scattering have also been examined. A proof of concept, our work also serves as a benchmark for future comparisons with other numerical approaches to Holstein polaron dynamics.

引用

页码：3110 / 3115

页数：6

共 58 条

[1] Holstein polaron [J].

Bonca, J ;

Trugman, SA ;

Batistic, I .

PHYSICAL REVIEW B, 1999, 60 (03) :1633-1642

[2] Variational energy band theory for polarons: Mapping polaron structure with the global-local method [J].

Brown, DW ;

Lindenberg, K ;

Zhao, Y .

JOURNAL OF CHEMICAL PHYSICS, 1997, 107 (08) :3179-3195

[3] Electronic and Vibrational Coherences in Resonance Energy Transfer along MEH-PPV Chains at Room Temperature [J].

Collini, Elisabetta ;

Scholes, Gregory D. .

JOURNAL OF PHYSICAL CHEMISTRY A, 2009, 113 (16) :4223-4241

[4] Davydov model: The quantum, mixed quantum-classical, and full classical systems [J].

CruzeiroHansson, L ;

Takeno, S .

PHYSICAL REVIEW E, 1997, 56 (01) :894-906

[5] 2 REASONS WHY THE DAVYDOV SOLITON MAY BE THERMALLY STABLE AFTER ALL [J].

CRUZEIROHANSSON, L .

PHYSICAL REVIEW LETTERS, 1994, 73 (21) :2927-2930

[6]

Davydov A.S., 1985, Solitons in Molecular Systems

[7] NUMERICAL-CALCULATION OF PATH-INTEGRALS - THE SMALL-POLARON MODEL [J].

DERAEDT, H ;

LAGENDIJK, A .

PHYSICAL REVIEW B, 1983, 27 (10) :6097-6109

[8] Non-Markovian Entanglement Dynamics in the Presence of System-Bath Coherence [J].

Dijkstra, Arend G. ;

Tanimura, Yoshitaka .

PHYSICAL REVIEW LETTERS, 2010, 104 (25)

[9] Lattice polaron formation: Effects of nonscreened electron-phonon interaction [J].

Fehske, H ;

Loos, J ;

Wellein, G .

PHYSICAL REVIEW B, 2000, 61 (12) :8016-8025

[10] ELECTRONS IN LATTICE FIELDS [J].

FROHLICH, H .

ADVANCES IN PHYSICS, 1954, 3 (11) :325-&

← 1 2 3 4 5 6 →