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

TL;DR

This study uses first principles calculations to reveal that 2H-Germanium Carbide has exceptionally high thermal conductivity, making it a promising material for heat dissipation in nanoelectronics.

Contribution

The paper provides the first detailed theoretical analysis of thermal conductivity in 2H-Germanium Carbide, including bulk and nanoscale properties, highlighting its potential for thermal management.

Findings

High thermal conductivity of 1350 W/mK along a-axis at 300K

Nanostructured 2H-GeC maintains ~65 W/mK at 100 nm scale

Thermal conductivity surpasses 2H-silicon carbide and approaches cubic germanium carbide

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.