Local Energy Dissipation/Transition in Field Effect Molecular Nanoelectronic Systems: a Quantum Mechanical Methodology

• 来源期刊: 理论物理通讯（英文版）
• 年，卷（期）: 2019,（4）
• 页码范围: 441-454
• 页数: 14页
• 语种: 英文
• DOI: 10.1088/0253-6102/71/4/441

摘要

Electronic and vibrational intra-molecular thermoelectric-like figures of merit (ZTMγ) are introduced for single molecule nanoelectronic system,using quantum theory of atoms in molecule.These figures of merit are used to describe intra-molecular or local energy dissipation/transition (as in Joule-like,Peltier-like,and Thomson-like effects) in field effect molecular devices.The ZTMγ figures of merit are computed for two proposed molecular devices.Analysis of the results shows that ZTMγ depends almost non-linearly on the electric field (EF) strength.Also,the intra-molecular Joule-like heating plays a dominant role in the local energy dissipation,and intra-molecular Thomson-like heating is generally larger than the intra-molecular Peltier-like heating.Introduction of ZTMγ can be applied to extend the analysis of thermoelectric heating down to molecular and intra-molecular levels,and thus can be used to predict characteristics and performance of any candidate multi-terminal or multi-pole molecular systems prior to their application in real nanoelectronic circuits.