Dresden 2017 – wissenschaftliches Programm

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MM: Fachverband Metall- und Materialphysik

MM 40: Transport III - thermal transport

MM 40.1: Vortrag

Mittwoch, 22. März 2017, 10:15–10:30, IFW D

TUNING QUANTUM ELECTRON AND PHONON TRANSPORT IN 2D MATERIALS BY STRAIN ENGINEERING: A GREEN’S FUNCTION BASED STUDY — •Leonardo Medrano Sandonas1,2, Rafael Gutierrez1, Alessandro Pecchia3, Gotthard Seifert4, and Gianaurelio Cuniberti1,5,61Institute for Materials Science and Max Bergmann Center of Biomaterials, Dresden, Germany — 2Max Planck Institute for the Physics of Complex Systems, Dresden, Germany — 3Consiglio Nazionale delle Ricerche, Rome, Italy — 4Institut für Physikalische Chemie und Elektrochemie, Dresden,Germany — 5Dresden Center for Computational Materials Science, Dresden, Germany — 6Center for Advancing Electronics Dresden, Dresden, Germany

In the present work, using a DFTB method in combination with Green’s function approaches, we address strain engineering of the transport setup (contact-device(scattering)-contact regions) on the electron and phonon transport properties of 2D materials, focusing on hBN, phosphorene, and MoS2 monolayer. Considering unstretched contact regions, we show that the electronic bandgap displays an anomalous behavior and the thermal conductance continuously decreases after increasing the strain level in the scattering region. However, when the whole system (contact and device regions) is homogeneously strained, the bandgap for hBN and MoS2 monolayers decreases, while for phosphorene first increases and then tends to zero with larger strain levels. Additionally, the thermal conductance shows a specific strain dependence for each of the studied 2D materials.

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