Empirical prediction of thermal properties, microhardness and sound velocity of cubic zinc-blende AlN

Abstract

Based on some empirical formulas and some data reported in the literature, this contribution aims to study the correlation between several physical properties of cubic zincblende aluminium nitride (c-AlN) semiconducting material. So, we report an empirical prediction at room temperature of the Debye temperature, Debye frequency, melting temperature, thermal conductivity, Vickers hardness, and sound velocity of c-AlN. Our calculated results are compared with other data of the literature; they are in very good agreement with other data previously published. At room temperature, the Debye temperature was found at around 978.84 K, the thermal conductivity is 3.82 W⋅cm-1 ⋅K-1 , while the melting temperature is around 2967.4 K, respectively. The deviations of the Debye temperature and melting temperature between our obtained values and the theoretical ones of the literature are less than 0.92% and 1.1%, respectively. Our findings on the different quantities of the zinc-blende phase have been compared to those of the hexagonal wurtzite phase. In general, no significant differences in the different quantities values between zinc-blende and wurtzite phases of AlN compound have been observed.

Bulk modulus of CaO under high pressure up to 65 GPa

“…As the pressure varied from 0 to 65 GPa, the bulk modulus of CaO changed from 114.7 to 334.41 GPa. The Debye temperature θD is an important thermodynamical quantity describing various physical properties of solids that are related to lattice vibrations [6,8,26]. Debye temperature θD represents highest mode of vibration of the crystal, during phonon vibrations [27], it is usually calculated from the elastic constants Cij [28][29][30][31][32].…”

Proposal of new stable ABC 2 type ternary semiconductor pnictides K 3 Cu 3 P 2 and K 3 Ni 3 P 2

“…In this regard, binary (eg, GaAs, CdS), ternary (eg, ZnGeP2, InGa3As4), quaternary (eg, CuInGaSe2), and even higher‐order structure semiconducting pnictides materials were proposed as suitable candidates to cater for the diversity of future applications in the domain of optoelectronic, magnetic storage, spintronic, thermoelectricity, nuclear energy, etc. For the types and structural properties of compound semiconductor the readers are referred to Reference 1. For instance, compound semiconductor materials are more suitable for semiconductor radiation detectors withstanding extreme conditions of high temperature and pressure 2 owing to high atomic number, high density, etc.…”

Debye temperature of CaO under high pressure up to 65.2 GPa

“…Compared with the bulk modulus B at equilibrium, our obtained data of B using the experimental elastic constants measured by Speziale et al [6] are somewhat larger than both the ab initio plane-wave pseudopotential DFT method [2] and semi-empirical approach [5] at high pressure. The knowledge of the sound velocity can play in important role in material science [30]. For polycrystalline materials, the mean value of the acoustic wave speed vm is related to the longitudinal vl and transverse vt elastic wave velocities as follow: vm = ((1/3)(2vt -3 + vl -3 )) -1/3 [31][32][33].…”