Year: 2018
Type: article
Abstract: We present the spin polarized calculations on the new Zr2NiX (X = Al, Ga) alloys. Band structure analysis present them as half-metallic compounds with integral spin magnetic moment of 3 mB following the general Slater-Pauling rule. Thermal effects on some macroscopic properties using quasi-harmonic Debye model which considers the phononic effects, the effects of pressure and temperature are taken into account. The variations of the thermal expansion coefficient, Debye temperature, Gruneisen parameter γ and heat capacity for the compounds have been investigated for the first time. These thermodynamic properties may prove as a reference for their synthesis.
Source: Materials Engineering Research
Authors: Saleem Yousuf, Dinesh C. Gupta
Institution: Jiwaji University
Language: English
Field: Materials Science
Domain: Physical Sciences
Open Access status: diamond
OpenAlex ID: W2804827005