Current-induced phonon renormalization in molecular junctions
Citation:
Bai M, Cucinotta C.S, Jiang Z, Wang H, Wang Y, Rungger I, Sanvito S, Hou S, Current-induced phonon renormalization in molecular junctions, Physical Review B - Condensed Matter and Materials Physics, 94, 3, 2016, 035411-Download Item:
Abstract:
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.
Sponsor
Grant Number
European Union Framework Programme 7 (FP7)
618082 ACMOL
Author's Homepage:
http://people.tcd.ie/sanvitosDescription:
PUBLISHEDExport Date: 5 January 2017
Author: SANVITO, STEFANO
Type of material:
Journal ArticleCollections
Series/Report no:
Physical Review B - Condensed Matter and Materials Physics94
3
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Full text availableKeywords:
molecular junctionDOI:
http://dx.doi.org/10.1103/PhysRevB.94.035411Metadata
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