Advances in Condensed Matter Physics

Research Article

Unprecedented Integral-Free Debye Temperature Formulas: Sample Applications to Heat Capacities of ZnSe and ZnTe

Table 10

Limiting values of the “true” (harmonic lattice) Debye temperatures, , including adjusted magnitudes of several even-order expansion coefficients, , that are representing the weights of the individual power terms in (C.1). These sets of parameter values have been determined via fittings (shown in Figure 10) of an appropriate selection of usable Debye temperature points, , implied by the experimental data points given by Kremer et al. [46] for natural ZnSe and ZnTe. Listed are also the magnitudes of the respective (Debye-model-related) cut-off phonon energies, , and several even-order phonon energy values, (for to 10), which are resulting from the corresponding PDOS spectra moments, , calculated on the basis of the analytical expressions (C.2a) to (C.2e) (note that the latter equations are exactly corresponding to the series of formulas originally derived within the frame of the supporting information to [21]; see also appendix of [14] and/or the appendix of [15]).


	ZnSe	ZnTe

Intervals (K)	17 to 96	15 to 80

(K)	317.9	262.3
	0.9259 × 10⁻²	0.9995 × 10⁻²
	0.6895 × 10⁻⁴	0.7851 × 10⁻⁴
	0.2869 × 10⁻⁶	0.3410 × 10⁻⁶
	0.6533 × 10⁻⁹	0.7714 × 10⁻⁹
	(0.7135 × 10⁻¹²)	(0.7038 × 10⁻¹²)
	(0.2510 × 10⁻¹⁵)	—

(meV)	27.40	22.60
(meV)	21.22	17.51
(meV)	23.48	19.45
(meV)	24.83	20.60
(meV)	25.75	21.38
(meV)	26.42	21.95