Predicted pressure-induced s-band ferromagnetism in alkali metals.

نویسندگان

  • Chris J Pickard
  • R J Needs
چکیده

First-principles density-functional-theory calculations show that compression of alkali metals stabilizes open structures with localized interstitial electrons which may exhibit a Stoner-type instability towards ferromagnetism. We find ferromagnetic phases of the lithium-IV-type, simple cubic, and simple hexagonal structures in the heavier alkali metals, which may be described as s-band ferromagnets. We predict that the most stable phases of potassium at low temperatures and pressures around 20 GPa are ferromagnets.

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عنوان ژورنال:
  • Physical review letters

دوره 107 8  شماره 

صفحات  -

تاریخ انتشار 2011