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 energ… Show more
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