Electronic, Magnetic, and Magnetocaloric Properties of NdMnO₃ Simple Perovskite

Using density functional theory calculations within the generalized gradient approximation, the electronic density of states and band structure of NdMnO\(_{3}\) simple perovskite are analyzed. It is found that the compound behaves as a ferromagnetic half-metal material. By using Monte Carlo simulations within the framework of the Ising model, the effects of the crystal field and the exchange interaction between the magnetic atoms Mn–Mn and Nd–Mn on the magnetization, susceptibility, specific heat, and internal energy are investigated. The magnetocaloric effect of NdMnO\(_{3}\) is also examined. It is observed that the relative cooling power (RCP) increases when the applied magnetic field or Mn–Mn exchange interaction is increased, whereas the RCP decreases when the crystal field or Nd–Mn exchange interaction is increased. These results show that NdMnO\(_{3}\) is a potential candidate for use in magnetic refrigeration and spintronic applications.