Comparison of Two Computing Method on Thermal Conductivity of Aluminum Nitride

Abstract:

Thermal conductivity of aluminum nitride (AlN) has been calculated by density functional perturbation theory (DFPT) and quasi-harmonic approximation (QHA) combined with Debye theory in the paper. Debye temperature is evaluated respectively from sound velocity and heat capacity. From 300K up to 1000K, the predicted thermal properties in pure crystal AlN based on these two Debye temperatures are compared with each other and the latter shows excellent agreement with Slack’s experimental data. The relative difference based on Debye temperature from heat capacity is within the limits of ±5.5%. This agreement with experiment is due to the Debye temperature derived from capacity contains the temperature effect while describe the three phonon process.

• Periodical: Advanced Materials Research (Volumes 989-994)
• Pages: 3509-3512
• DOI: https://doi.org/10.4028/www.scientific.net/AMR.989-994.3509
• Online since: July 2014
• Authors: Xue Mei Cai*, Qian Neng Zhou, Jing Mei Wang
• Keywords: Aluminum Nitride (AlN), Debye Temperature, Heat Capacity, Thermal Conductivity

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