M Sanati and S K Estreicher 2004 J. Phys.: Condens. Matter 16 L327 doi:10.1088/0953-8984/16/28/L02
M Sanati and S K Estreicher
Show affiliationsThe specific heat and entropy of (wurtzite) GaN are not well known experimentally. The literature values for Cp (T>298 K) are based on a fit to an analytic function. The parameters include Cp (298 K) and the melting temperature Tm, both of which were poorly known when the parameters were first determined. The value of Cp (298 K) disagrees with the data measured in the range 5–305 K. Our first-principles calculations allow the values of the parameters to be established and lead to a more accurate prediction of specific heat and entropy of GaN.
65.40.G- Other thermodynamical quantities
71.15.Mb Density functional theory, local density approximation, gradient and other corrections
Issue 28 (21 July 2004)
Received 17 May 2004
Published 2 July 2004
M Sanati and S K Estreicher 2004 J. Phys.: Condens. Matter 16 L327
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