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Electronic Properties and Magnetocaloric Effect of GdNi4Si: Ab Initio Calculations, Mean Field Approximation, and Monte Carlo Simulation

  • Rachida Lamouri
  • El Mehdi Salmani
  • Mustapha Dehmani
  • Hamid Ez-Zahraouy
  • Abdelilah Benyoussef
Original Paper

Abstract

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.

Keywords

Magnetocaloric effect Exchange coupling Monte Carlo Ab initio Critical exponent Ising model 

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Copyright information

© Springer Science+Business Media, LLC 2017

Authors and Affiliations

  1. 1.Laboratoire de la Matière Condensée et Sciences Interdisciplinaires (LaMCScI), Department of Physics, Faculty of SciencesUniversity Mohammed VRabatMorocco
  2. 2.Institute of Nanomaterials and NanotechnologyMASciRRabatMorocco

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