Electronic structure and magnetic properties of fete, bifeo3, srfe12o19 and srcotife10o19 compounds

@article{Lyogenkaya2016ElectronicSA,
  title={Electronic structure and magnetic properties of fete, bifeo3, srfe12o19 and srcotife10o19 compounds},
  author={Anastasiya A. Lyogenkaya and G. E. Grechnev and O. V. Kotlyar and A. S. Panfilov and Vladimir Gnezdilov},
  journal={Ukrainian Journal of Physics},
  year={2016},
  volume={61},
  pages={523-530}
}
3 Citations
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,
An ab initio study of the magnetic properties of strontium hexaferrite
TLDR
It is found that the dominant influence arises from the choice of the Hubbard U term, with a value in the 2–3 eV range as the most adequate to quantitatively reproduce the two most relevant magnetic properties of this material, namely: its large perpendicular magnetocrystalline anisotropy and its elevated Néel temperature.
Gd impurity effect on the magnetic and electronic properties of hexagonal Sr ferrites: A case study by DFT
The electronic and magnetic properties of strontium hexa-ferrite (SrFe12O19) are studied in pure state (SrFe12O19) and with dopant in the positions 2 and 3 of Fe atoms (SrGdFe11O19-I and

References

SHOWING 1-10 OF 22 REFERENCES
Magnetism of mixed valence (LaSr) hexaferrites
Abstract.The electronic structure of LaxSr1-xFe12O19 (x=0, 0.25, 0.5, 0.75, 1) hexaferrite is calculated using the density functional theory and generalized gradient approximation (GGA). The GGA+U
Doping evolution of the magnetic susceptibility and transport properties of Fe1 + δTe1 − xSex single crystals
A study of the doping evolution of the magnetic susceptibility and transport properties was performed on Fe1 + δTe1 − xSex (x = 0, 0.22, 0.32, 0.37 and 0.40) single crystals grown by the self-flux
Balanced crystal orbital overlap population : a tool for analysing chemical bonds in solids
A new tool for analysing theoretically the chemical bonding in solids is proposed. A balanced crystal orbital overlap population (BCOOP) is an energy resolved quantity which is positive for bonding
Exchange interactions in barium hexaferrite
The electronic structure of $\mathrm{Ba}{\mathrm{Fe}}_{12}{\mathrm{O}}_{19}$ hexaferrite is calculated using the density functional theory and generalized gradient approximation (GGA). The
From antiferromagnetism to superconductivity in Fe(1+y)Te(1-x)Se(x) (0 <= x <= 0.20): Neutron powder diffraction analysis
The nuclear and magnetic structures of ${\text{Fe}}_{1+y}{\text{Te}}_{1\ensuremath{-}x}{\text{Se}}_{x}$ $(0\ensuremath{\le}x\ensuremath{\le}0.20)$ compounds was analyzed between 2 and 300 K by means
Magnetic-field-induced effects in the electronic structure of itinerant d- and f-metal systems
A paramagnetic response of transition metals and itinerant d- and f-metal compounds in an external magnetic field is studied by employing ab initio full-potential LMTO method in the framework of the
First-principles study of spontaneous polarization in multiferroic BiFeO 3
The ground-state structural and electronic properties of ferroelectric BiFeO 3 are calculated using density functional theory within the local spin-density approximation sLSDAd and the LSDA+U method.
A review of Fe-chalcogenide superconductors: the simplest Fe-based superconductor
Here we summarize the physical properties of the newly discovered Fe-chalcogenide superconductors. The Fe-chalcogenide superconductors attract us as the simplest Fe-based superconductors.
Crystal structure and spiral magnetic ordering of BiFeO3 doped with manganese
Abstract.Neutron powder diffraction has been performed on polycrystalline BiMnxFe1-xO3 (x=0, 0.1 and 0.2). The structures of the doped compounds are described by the space group R3c of ferroelectric
...
...