Study of the electronic and magnetic properties of EuAlO_3 using FP-LAPW method

摘要

The electronic and magnetic properties of EuAlO_3 is calculated by first-principles full-potential linearized augmented plane wave (FP-LAPW) method based on density functional theory (DFT). Density of states (DOS), magnetic moments and band structures of the systems are presented. For the exchange and correlation energy, local spin density approximation (LSDA+U) with the inclusion of Hubbard potential U is used. Our calculation showed an indirect band gap of the order of 4 eV for EuAlO_3 in the spin down channel of the DOS and band structures supporting HMF nature of the system. The effective magnetic moment of 6.00 μ_B also supported the above conclusion with an integral value. The DOS of Eu were found responsible for the HMF nature of the system.