Abstracts Book - IMRC 2018

theoretically verify the experimental observation of the proportionality of
electronic and thermal conductances. The DFT-based calculations show that the
phonon contribution to the thermal conductance is less than 10 percent, such
that the measured signal is indeed of truly electronic nature.
Last we show how the thermal conductance of molecular junctions can be tuned
via the inclusion of substituents, which induces dertructive interference effects.
For this we study several benzene and oligo-phenylene-ethynylene derivatives.
By varying the mass of the substituent we show that the position of the
interference feature can be influenced, leading to a decrease of the thermal
conductance with respect to the unmodified molecules. This work provides clear
strategies for the heat management in molecular junctions.
Reference:
[1] Pop, Nano Res. 3 ,147 (2010)
[2] C. Klöckner, M. Bürkle, J. C. Cuevas, F. Pauly, Phys. Rev. B 94, 205425 (2016)
[3] Cui W. Jeong, S. Hur, M. Matt, J. C. Klöckner, F. Pauly, P. Nielaba, J. C. Cuevas,
E. Meyhofer P. Reddy, Science (2017); DOI: 10.1126/science.aam6622
[4] C. Klöckner, J. C. Cuevas, F. Pauly, Phys. Rev. B 96, 245419 (2017)
[5] C. Klöckner, J. C. Cuevas, F. Pauly, arxiv:1801.10379
Keywords: Molecular junctions, Coherent transport, DFT
Presenting authors email: Jan.Kloeckner@uni-konstanz.de