Electronic, Magnetic, and Magnetocaloric Properties of NdMnO3 Simple Perovskite

Abstract

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.