Thermoelectric Transport in Graphene/$h$-BN/Graphene Heterostructures: A Computational Study
| Autor: | D'Souza, Ransell, Mukherjee, Sugata |
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| Rok vydání: | 2016 |
| Předmět: | |
| Zdroj: | Physica E,81 (2016), 96-101 |
| Druh dokumentu: | Working Paper |
| DOI: | 10.1016/j.physe.2016.03.006 |
| Popis: | We present first principles study of thermoelectric transport properties of sandwiched heterostructure of Graphene (G)/hexagonal Boron Nitride (BN)/G, based on Boltzmann transport theory for band electrons using the bandstructure calculated from the Density Functional Theory (DFT) based plane-wave method. Calculations were carried out for three, four and five BN layers sandwiched between Graphene layers with three different arrangements to obtain the Seebeck coefficient and Power factor in $T\sim 25-400$K range. Moreover, using Molecular Dynamics (MD) simulations with very large simulation cell we obtained the thermal conductance ($K$) of these heterostructures and obtained finally the Figure-of-Merit ($ZT$). These results are in agreement with recently reported experimental measurements. Comment: 11 pages, 6 figures |
| Databáze: | arXiv |
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