Abstract
The sound velocities and some thermal properties of BeX (X=S, Se and Te) beryllium-chalcogenides large band gaps semiconductors have been estimated by employing some usual theoretical and emperical formulas. The lattice parameters and the elastic stiffness constants used here are taken from the literature. The longitudinal, transverse and average elastic wave velocities, the Debye temperature, the melting temperature, the thermal conductivity and the Grüneisen parameter are successfully predicted and analyzed in comparison with the available experimental and theoretical data. In general, our obtained results of these quantities agree well with the experimental and other theoretical data of the literature.
Highlights
II-VI and III-V semiconductors were largely and successfully used in the fabrication of the optoelectronic devices
We have made an attempt to predict the longitudinal, transverse and average elastic wave velocities, the Debye temperature, the melting temperature, the thermal conductivity, and Grüneisen parameter γ of BeX (X=S, Se and Te) semiconductors based on the experimental lattice parameters and elastic constants taken from the literature
The results reported in table. 4, shows that the Debye temperature, the melting temperature, and the thermal conductivity are inversely proportional to the molar mass and the crystal density of the considered compounds
Summary
II-VI and III-V semiconductors were largely and successfully used in the fabrication of the optoelectronic devices. Dabhi et al [7] have established a systematic theoretical study of structural, mechanical, electronic, vibrational and thermodynamical properties of three Beryllium-monochalcogenides BeX (X=S, Se and Te) binary semiconductors in zinc blende, NiAs and rock salt phases by performing ab initio calculations based on densityfunctional theory They found that the phonon dispersion curves of these materials in cubic zincblende phase depict their dynamical stability in this phase at ambient condition. The calculated values of the longitudinal (vl), transverse (vt) and average (vm) elastic wave velocities of BeX (X=S, Se and Te) semiconductors are presented in table 3 and compared with the available theoretical data [5], [6]. To the best of our knowledge, there are no data available in the literature on the longitudinal and transverse sound velocities BeTe material
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