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Ferroelectric, quantum efficiency and photovoltaic properties in perovskite BiFeO3 thin films: First principle calculations and Monte Carlo study
Monte Carlo simulations and the full‐potential linearized augmented plane wave (FP‐LAPW) method in the framework of density functional theory (DFT) are applied to investigate the quantum efficiency,
A comparative study between GGA, WC-GGA, TB-mBJ and GGA + U approximations on magnetocaloric effect, electronic, optic and magnetic properties of BaMnS2 compound: DFT calculations and Monte Carlo
The magnetocaloric effect, electronic, optical and magnetic properties of BaMnS2 are studied using the Wu-Cohen-Generalized Gradients Approximation (WC-GGA), GGA, Tran and Blaha modified
Intrinsic ferromagnetism in CoBr2 nanolayers: a DFT + U and Monte Carlo study
The intrinsic ferromagnetism of CoBr2 bulk was investigated using DFT (density functional theory) combined with the full potential linear augmented plane wave method and Monte Carlo simulations. The
First principal calculation and Monte Carlo simulations of the Magnetocaloric effect, Electronic and Magnetic properties in perovskite oxide Pr 0.65Sr 0.35MnO 3
We have used the first principal calculation and Monte Carlo simulations (MCS) to investigate the magnetocaloric effect, electronic and magnetic properties of Pr 0.65Sr 0.35MnO 3 (PSMO) perovskite.