Electronic structure and magnetism for FeSi (1−x) Ge x from supercell calculations

@article{Jarlborg2004ElectronicSA,
  title={Electronic structure and magnetism for FeSi (1−x) Ge x from supercell calculations},
  author={Thomas N. Jarlborg},
  journal={Journal of Magnetism and Magnetic Materials},
  year={2004},
  volume={283},
  pages={238-246}
}
  • T. Jarlborg
  • Published 1 April 2004
  • Physics
  • Journal of Magnetism and Magnetic Materials
9 Citations

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References

SHOWING 1-10 OF 27 REFERENCES
Band structure and semiconducting properties of FeSi.
The results of linear augmented-plane-wave band calculations for cubic FeSi, carried out in the local-density approximation, predict a small (-0.11 eV) indirect semiconductor gap which agrees well
Low-temperature properties of epsilon -FeSi from ab initio band theory.
  • Jarlborg
  • Physics
    Physical review. B, Condensed matter
  • 1995
TLDR
Local-density calculations of the electronic structure as a function of temperature T and applied magnetic field H are presented for FeSi, finding that low-T properties are understood from mean-field calculations based on the band structure, but spin fluctuations have to be invoked to describe properties for T larger than about 200 K.
First-order transition from a Kondo insulator to a ferromagnetic metal in single crystalline FeSi(1-x)Ge(x).
The phase diagram of FeSi(1-x)Ge(x), obtained from magnetic, thermal, and transport measurements on single crystals, shows a discontinuous transition from Kondo insulator to ferromagnetic metal with
Thermodynamics of FeSi.
TLDR
It is concluded that, given the available alternatives, a Kondo insulator description---involving an extreme renormalization of the noninteracting bands---is most appropriate for FeSi.
Temperature-induced local moments in MnSi and FeSi
A unified theory is given of the magnetic and thermal properties of the itinerant-electron magnet MnSi and the non-magnetic semiconductor FeSi. The calculations are based on the spin-fluctuation
Electronic structure and optical properties of FeSi, a strongly correlated insulator.
TLDR
The optical response incorporating simple finite-temperature effects, namely, electron-phonon scattering of intrinsic carriers, is calculated and it is found that this provides a poor direct fit to recent infrared measurements.
Magnetic, transport, and structural properties of Fe1-xIrxSi.
...
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