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Pressure-induced ferromagnetism in open structure alkali metals from first principles
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10.1063/1.3701134
/content/aip/journal/apl/100/14/10.1063/1.3701134
http://aip.metastore.ingenta.com/content/aip/journal/apl/100/14/10.1063/1.3701134
View: Figures

Figures

Image of FIG. 1.
FIG. 1.

The magnetic moment (in Bohr magneton ) dependence on the external isotropic pressure for simple cubic and simple hexagonal structure alkali metals, respectively.

Image of FIG. 2.
FIG. 2.

Variation in volume (a) and total energy (b) per formula unit with relative pressure for simple cubic K.

Image of FIG. 3.
FIG. 3.

Spin-resolved electronic density of states and spin-resolved electron density distribution of simple cubic K under pressures (a) 0 GPa, (b) 6.9 GPa, (c) 17.8 GPa, (d) 23 GPa, and (e) 25 GPa, respectively. The zero of the energy scale is set at the Fermi energy. The total density is defined as the sum of majority and minority spins, and the spin density is defined as the difference of majority and minority spins. The small spheres (purple) represent K atoms.

Image of FIG. 4.
FIG. 4.

Pressure dependence of the calculated Stoner criterion for simple cubic K.

Image of FIG. 5.
FIG. 5.

Spin-resolved electronic band structure and spin-resolved Fermi surface of simple cubic K under pressures (a) 0 GPa, (b) 6.9 GPa, (c) 17.8 GPa, (d) 23 GPa, and (e) 25 GPa, respectively. The zero of the energy scale is set at the Fermi energy. The Fermi surface only shows bands crossing Fermi energy. Black solid and red dashed lines represent spin majority and spin minority states, respectively. The following notation is used to label the high symmetry points: -center of the Brillouin zone; M-center of an edge; R-corner point; and X-center of a face.

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/content/aip/journal/apl/100/14/10.1063/1.3701134
2012-04-03
2014-04-20
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752b84549af89a08dbdd7fdb8b9568b5 journal.articlezxybnytfddd
Scitation: Pressure-induced ferromagnetism in open structure alkali metals from first principles
http://aip.metastore.ingenta.com/content/aip/journal/apl/100/14/10.1063/1.3701134
10.1063/1.3701134
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