Thermal properties of cubic zincblende thallium-phosphide from quasi-harmonic Debye model approximation

Abstract

The thermal properties of cubic zincblende (B3) thallium -phosphide (TlP) compound under high pressure up to 12 GPa have been studied using the quasi-harmonic Debye model approximation. The relative unit cell volume, the isothermal bulk modulus, the first order derivative isothermal bulk modulus, the Debye temperature and the Grüneisen parameter are studied at zero-temperature and at standard ambient temperature (298 K) respectively. Our obtained values of the different previous quantities are in general in agreement compared to other theoretical data of the literature.

Bulk modulus of CaO under high pressure up to 65 GPa

“…Similar behavior for the bulk modulus versus pressure was observed for the two approaches. Similar behavior for the bulk modulus under pressure was observed for calciumbased chalcogenides CaX (X = S, Se, Te) [20], cubic zincblende (B3) aluminum phosphide (AlP) semiconducting compound [24], and cubic zincblende thallium -phosphide (TlP) material [25]. The fit of our data on the bulk modulus as a function of pressure p (where both B and p are expressed in GPa) obeys the 2 nd order polynomial expression: B = 115.37 + 3.84 p -7.25 x 10 -3 p 2 .…”

Correlation study of optical, mechanical and thermal properties of BAs material and its experimental energy gap

“…The Debye temperature is usually used to distinguish between low and high temperature regions [33]. In our recent work [28], the plasmon energy (ћωp) used with success to predict the Debye temperature (θD) of BBi compound.…”

Mechanical stability criterions of cubic Na2He up to 500 GPa

“…2 that the Debye temperature θD of Na2He compound increases non-linearly with increasing in pressure from 100 to 500 GPa. We note that a similar behavior was observed in comparison to data obtained for Cu3N compound up to 30 GPa [3], for cubic zincblende boron nitride [12], for BeSe compound up to 50 GPa [20], for CaTe semiconducting material up to 27.8 GPa [25], for calcium oxide (CaO) compound [26,27], for alkaline earth CaX (X = S, Se, Te) semiconducting materials [28], for both α-PbO2 and β-PbO2 materials [29], for cubic zincblende thallium-phosphide (TlP) up to 12 GPa [30], and for Ni3Mo intermetallic compound up to 30 GPa [31]. The best fit of our data on θD (expressed in K) versus pressure p (expressed in GPa) for Na2He compound is given as follows: θD = 301.1 +4.25 p -0.007 p 2 +0.54 x 10 -5 p 3 .…”