First principles investigation of high thermal conductivity in hexagonal germanium carbide(2H-GeC)

Rajmohan Muthaiah; Jivtesh Garg

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arXiv · 2107.04596

First principles investigation of high thermal conductivity in hexagonal germanium carbide(2H-GeC)

Rajmohan Muthaiah·Jivtesh Garg

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Abstract

Designing and searching for a high thermal conductivity material in both bulk and nanoscale is highly demanding for electronics cooling. In this work, we studied the thermal conductivity of 2H-Germanium Carbide(2H-GeC) using first principles calculations. At 300 K, we are reporting a high thermal conductivity of 1350 Wm-1K-1 and 1050 Wm-1K-1 along a-axis and c-axis respectively for pure 2H-GeC. These values are 130% higher than the thermal conductivity of 2H-silicon carbide and 20% lower than cubic germanium carbide(c-GeC). We analyzed the phonon group velocities, phonon scattering rates and mode contribution from acoustic and optical phonons. We also studied the thermal conductivity of nanostructured 2H-GeC for heat dissipation in nanoelectronics. At room temperature, thermal conductivity of 2H-GeC is ~65 Wm-1K-1 at nanometer length scales(L) of 100 nm is equal to that of the c-GeC. This result suggests that, 2H- GeC will be a promising material for thermal management applications in micro/nano electronics.

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Rajmohan Muthaiah, Jivtesh Garg. 2021-07-08. First principles investigation of high thermal conductivity in hexagonal germanium carbide(2H-GeC). https://arxiv.org/abs/2107.04596

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