Heat capacity and thermodynamic functions of the CuAlS₂ semiconductor in the temperature range from 80 to 300 K

Abstract

The molar heat capacity at constant pressure C P has been measured for CuAlS 2 semiconductor in the temperature range from 80 to 300 K for the first time. From the experimental results the molar heat capacity at constant volume C V and thermodynamic functions such as enthalpy H and entropy S were calculated.

Heat capacity calculation of the CuAlS2 semiconductor compound using the Lambert W function

“…In an attempt to confirm the method of calculation proposed in this paper, the specific heat capacity at constant pressure C p for the semiconductor compound CuAlS 2 is calculated in the temperature range 100-300 K. In comparison with the experimental data available in the literature, the calculated result is shown in Table 2. Our results are in excellent agreement with experimental data obtained by Korzun et al [5] over the temperature range from 100 to 300 K with the largest discrepancy of 0.9% at 170 K. For further improvement for this method of calculation, Figures 2 and 3 show respectively the comparison of the value of heat capacity at constant pressure Cp and the heat capacity at constant volume C v calculated by the standard Boltzmann formula and the Lambert Boltzmann distribution with the experimental data [5]. The Boltzmann formula gives significantly larger discrepancies with the data and a large disagreement appears between both results.…”

“…The experimental and our calculated values of heat capacity C v are presented in Table 1. It is evident from this table that the result obtained is in excellent agreement with the experiment data [5] in the temperature range from 100 to 300 K with a large discrepancy of 0.7% at 120 K, 160 K and 250 K.…”

“…Firstly, the method was applied to calculate the values of the specific heat capacity at constant volume C v which we compared with experimental data [5].…”

“…For optimizing the synthesis of the CuAlS 2 semiconductor compound and estimating its thermodynamic characteristics, the evaluating data on the heat capacities of this semiconductor compound is of great importance. So far, the heat capacity of CuAlS 2 has been measured by the adiabatic calorimeter and were more refining using the least squares method [5]. However, no theoretical methods were used to calculate the heat capacity of CuAlS 2 .…”

Atomic structure of the (001) surface of CuGaSe2

“…Consequently, the pV and F vib. contributions for these type of materials are of the order of 0.02 J/m 2 [23,25,26], and can be considered negligible. Therefore, ∆G CuGaS 2 can be written as:…”