Strain-induced total energy and magnetocrystalline anisotropy energy .
The projected DOS for and orbitals of the Fe atom in (a) cubic and (b) tetragonal distorted DOS at . The spin-down states are multiplied by −1 and the energy zero is set to the Fermi level.
(a) Strain-induced differences in DOS of spin-down states from to and (b) as a function of the band filling electrons at and . The number of valence electron of in the formula unit and the corresponding are set to zero.
The calculated lattice constant (in units of Å), the spin magnetic moment MM , the bulk modulus B, tetragonal shear constant , elastic constants and (GPa), and magnetostrictive coefficient . Experimental and other theoretical results are also presented.
Contributions of (in units of meV) of for different spin channels at .
Article metrics loading...
Full text loading...