First principles calculation of thermoelectric parameters of Monolayer- and Bilayer-Graphene and Heterostructures of Graphene and h-BN

R D'Souza and S Mukherjee, XXVII IUPAP CONFERENCE ON COMPUTATIONAL PHYSICS (CCP2015), 759, 012040 (2016).

DOI: 10.1088/1742-6596/759/1/012040

Electrical conductivity and Seebeck coefficient were calculated using Boltzmann transport theory based on first-principles bandstructure calculations for the monolayer- and bilayer-graphene. We also present calculations of the thermoelectric parameters of Graphene/hBN/Graphene sandwiched heterostructures. These results will be discussed in the light of existing experimental data.

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