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The magnetic moment (in Bohr magneton ) dependence on the external isotropic pressure for simple cubic and simple hexagonal structure alkali metals, respectively.
Variation in volume (a) and total energy (b) per formula unit with relative pressure for simple cubic K.
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.
Pressure dependence of the calculated Stoner criterion for simple cubic K.
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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