Electronic Properties and Magnetocaloric Effect of GdNi4Si: Ab Initio Calculations, Mean Field Approximation, and Monte Carlo Simulation
- Resource Type
- Original Paper
- Authors
- Lamouri, Rachida; Salmani, El Mehdi; Dehmani, Mustapha; Ez-Zahraouy, Hamid; Benyoussef, Abdelilah
- Source
- Journal of Superconductivity and Novel Magnetism: Incorporating Novel Magnetism. 31(6):1819-1825
- Subject
- Magnetocaloric effect
Exchange coupling
Monte Carlo
Ab initio
Critical exponent
Ising model
- Language
- English
- ISSN
- 1557-1939
1557-1947
We investigated the magnetic properties and magnetocaloric effect of GdNi4Si by using a combination of first-principle density functional theory (DFT) calculations and Monte Carlo Simulation. Ab initio calculations show the stability of the ferromagnetic phase in this material. The Monte Carlo simulations combined with ab initio exchange coupling constants as input parameters lead to discuss the transition temperature, critical exponents, and isothermal entropy changes. The measured critical temperature and the isothermal magnetic entropy changes for a field change of 14T in good agreement with the experimental data.