Proximity of LaOFeAs to a magnetic instability

  title={Proximity of LaOFeAs to a magnetic instability},
  author={I. Opahle and H. C. Kandpal and Y. Zhang and C. Gros and R. Valent{\'i}},
We investigate the effect of external pressure on the Fe magnetic moment in undoped LaOFeAs within the framework of density functional theory and show that this system is close to a magnetic instability: The Fe moment is found to drop by nearly a factor of 3 within a pressure range of ± 5 GPa around the calculated equilibrium volume. While the Fe moments show an unusually strong sensitivity to the spin arrangement (type of anti-ferromagnetic structure), the low temperature structural distortion… Expand

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