First principles study of some thermodynamic properties of Calcium Indium (CaIn) intermetallic compound

International Journal of Physical Sciences

K. Alfaramawi¹ 

关键词: Intermetallic compounds;    Debye temperature;    bulk modulus;    Gruneisen parameter.;   

DOI  :  10.5897/IJPS12.399

学科分类：物理（综合）

来源: Academic Journals

【 摘 要 】

Calculations of some thermodynamic properties of Calcium Indium (CaIn) intermetallic compounds are carried out using the quasi harmonic Debye model. The Debye temperature was studied as a function of both lattice temperature and unit cell volume. The calculations showed that the Debye temperature decreases slowly with elevation of the temperature.It was found that the Debye temperature varies from 130 to 110K when the lattice temperature increases from 10K up to 1600Kwhich indicates a small range of variation with temperature. The dependence of the Debye temperature on the volume revealed that it is generally increased with increasing of the unit cell volume. The temperature dependent bulk modulus of CaIn compound was investigated at zero pressure. It decreases as the temperature increases. This may be attributed to the rapid change of the cell volume as the temperature increases.

【 授权许可】

CC BY