Magnetocaloric effect, electronic and magnetic properties of Ba1-xSrxFeO3 barium-strontium ferrites: Monte Carlo simulations and comparative study between TB-mBJ and GGA+U

@article{Kadim2021MagnetocaloricEE,
  title={Magnetocaloric effect, electronic and magnetic properties of Ba1-xSrxFeO3 barium-strontium ferrites: Monte Carlo simulations and comparative study between TB-mBJ and GGA+U},
  author={G. Kadim and Rachid Masrour and A. Jabar},
  journal={Materials today communications},
  year={2021},
  volume={26},
  pages={102071}
}
Electronic, Magnetic Properties and Magnetocaloric Effect of La2SrMn2O7 Bilayer Manganite: An Ab Initio calculations and Monte Carlo Study
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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.
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The magnetocaloric effect (MCE) of La0.5Ca0.1Ag0.4MnO3 (LCAMO) is simulated using a phenomenological model (PM). The LCAMO MCE parameters are calculated as the results of simulations for
Calculation of energy and magnetic susceptibility of Fe atomic system during dislocation motion in magnetic field
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References

SHOWING 1-10 OF 57 REFERENCES
Strain‐ and correlation‐induced half‐metallic ferromagnetism in orthorhombic BaFeO 3
Using first‐principles calculations, the electronic and magnetic properties of orthorhombic BaFeO 3 (BFO) are investigated with the local spin density approximation (LSDA). The calculations reveal
Strain induced Jahn-Teller distortions in BaFeO3 : A first-principles study
The effect of epitaxial strain on structural, magnetic and electronic properties of BaFeO 3 per- ovskite oxide are investigated from first principles calculations, using the Density Functional The-
Magnetocaloric effect of field-induced ferromagnet BaFeO3
We have investigated the magnetocaloric effect (MCE) of a perovskite oxide, BaFeO3, that shows ferromagnetism by the aid of a small external field of ∼3 kOe (3.5 μB/Fe, TC = 111 K). The magnetization
Pressure-induced ferromagnetism in cubic perovskite SrFeO 3 and BaFeO 3
The spin order in cubic perovskite SrFeO3 and BaFeO3 under high pressure is studied by density functional theory (DFT) calculation with local spin density approximation plus Hubbard U (LSDA+U). At
Critical Magnetic Behavior of the Rare Earth-Based Alloy GdN: Monte Carlo Simulations and Density Functional Theory Method
In this study, we use Monte Carlo simulations (MCS) and DFT method in order to deduce the critical magnetic behavior of the rare earth-based alloy GdN. The Monte Carlo method is based on the
Ab initio study on half-metallic, electronic and thermodynamic attributes of LaFeO3
Abstract.By using the density functional theory (DFT) the systematic study of the structural, electronic and thermodynamic properties of lanthanum ferrite (LaFeO3) has been conducted. The elastic
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