Regensburg 2019 – wissenschaftliches Programm

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MM: Fachverband Metall- und Materialphysik

MM 10: Methods in Computational Materials Modelling (methodological aspects, numerics)

MM 10.10: Vortrag

Montag, 1. April 2019, 18:15–18:30, H45

Phonon filters in molecular junctions — •Alvaro Rodriguez Mendez^1,2, Leonardo Medrano Sandonas^1,2, Rafael Gutierrez¹, Jesus Ugalde³, Vladimiro Mujica⁴, and Gianaurelio Cuniberti^1,5 — ¹Institute for Materials Science and Max Bergmann Center of Biomaterials, TU Dresden, 01062 Dresden, Germany — ²Max Planck Institute for the Physics of Complex Systems, 01187 Dresden, Germany — ³Kimika Fakultatea, Euskal Herriko Unibertsitatea (UPV/EHU) and Donostia International Physics Center (DIPC); P.K.1072; 20080 Donostia; Euskadi (Spain) — ⁴Arizona State University, School of Molecular Sciences, Tempe, AZ 85287, USA. — ⁵Dresden Center for Computational Materials Science (DCMS), TU Dresden, 01062 Dresden, Germany

We provide computational support to the intriguing idea that heterogeneous molecular junctions, consisting of molecular wires bridging two different nano-contacts, can act as a phonon filter. The filtering effect is ultimately due to the asymmetric nature of the contacts that translate into different interfacial energy transferring properties. The most important finding is the appearance of gaps on the phonon transmittance spectrum, which are strongly correlated to the properties of the vibrational spectrum of the molecule in the junction. This filtering effect may have very important technological implications for the design of smart nano-devices and nano-materials that can be used to control the asymmetric transmission of heat.