Influence of defects on thermal properties of stanene

S Das and T Rakib and S Mojumder and MM Islam and MA Motalab, 7TH BSME INTERNATIONAL CONFERENCE ON THERMAL ENGINEERING (ICTE), 1851, 020035 (2017).

DOI: 10.1063/1.4984664

Stanene is a two-dimensional, graphene-like honeycomb structure material, has been synthesized in a recent experimental study. Theoretically, it is expected to have a super conductive property near room temperature due to its spin orbital coupling effect. It is a potential material for the next generation nano-electronics application. Therefore, studying its thermal property is of particular interest. In this paper, we investigated the effect of different types of defects on the thermal conductivity of stanene nanosheets. Molecular Dynamics simulations are performed to calculate the thermal conductivity as a function of various types of defects. MEAM potential is used to describe the inter-atomic forces. It has been found that the presence of defects reduces the thermal conductivity significantly. Finally, vibrational density of states (DOS) are calculated to elucidate the underlying mechanisms of the reduction of thermal conductivity.

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