Current-induced phonon renormalization in molecular junctions

doi:10.1103/PhysRevB.94.035411

CORC > 北京大学 > 信息科学技术学院

	Current-induced phonon renormalization in molecular junctions
	Bai, Meilin ; Cucinotta, Clotilde S. ; Jiang, Zhuoling ; Wang, Hao ; Wang, Yongfeng ; Rungger, Ivan ; Sanvito, Stefano ; Hou, Shimin
刊名	PHYSICAL REVIEW B
	2016
关键词	ENHANCED RAMAN-SPECTROSCOPY SINGLE-MOLECULE ELECTRON-TRANSPORT SYSTEMS FIELDS STATES AU AG
DOI	10.1103/PhysRevB.94.035411
英文摘要	We explain how the electrical current flow in a molecular junction can modify the vibrational spectrum of the molecule by renormalizing its normal modes of oscillations. This is demonstrated with first-principles self-consistent transport theory, where the current-induced forces are evaluated from the expectation value of the ionic momentum operator. We explore here the case of H-2 sandwiched between two Au electrodes and show that the current produces stiffening of the transverse translational and rotational modes and softening of the stretching modes along the current direction. Such behavior is understood in terms of charge redistribution, potential drop, and elasticity changes as a function of the current.; National Natural Science Foundation of China [61321001, 61271050]; Ministry of Science and Technology of China [2013CB933404]; European Research Council ("quantitative electron and spin transport theory for organic crystals based devices" QUEST project) [307891]; European Union through the FP7 Project [618082 ACMOL]; SCI(E); ARTICLE; cucinotc@tcd.ie; SANVITOS@tcd.ie; smhou@pku.edu.cn; 3; 94
语种	英语
内容类型	期刊论文
源URL	[http://ir.pku.edu.cn/handle/20.500.11897/491974]
专题	信息科学技术学院
推荐引用方式 GB/T 7714	Bai, Meilin,Cucinotta, Clotilde S.,Jiang, Zhuoling,et al. Current-induced phonon renormalization in molecular junctions[J]. PHYSICAL REVIEW B,2016.
APA	Bai, Meilin.,Cucinotta, Clotilde S..,Jiang, Zhuoling.,Wang, Hao.,Wang, Yongfeng.,...&Hou, Shimin.(2016).Current-induced phonon renormalization in molecular junctions.PHYSICAL REVIEW B.
MLA	Bai, Meilin,et al."Current-induced phonon renormalization in molecular junctions".PHYSICAL REVIEW B (2016).