pair_style spin/dmi command
pair_style spin/dmi cutoff
cutoff = global cutoff pair (distance in metal units)
pair_style spin/dmi 4.0 pair_coeff * * dmi 2.6 0.001 1.0 0.0 0.0 pair_coeff 1 2 dmi 4.0 0.00109 0.0 0.0 1.0
Style spin/dmi computes the Dzyaloshinskii-Moriya (DM) interaction between pairs of magnetic spins. According to the expression reported in (Rohart), one has the following DM energy:
where si and sj are two neighboring magnetic spins of two particles, eij = (ri - rj)/|ri-rj| is the unit vector between sites i and j, and D is the DM vector defining the intensity (in eV) and the direction of the interaction.
In (Rohart), D is defined as the direction normal to the film oriented from the high spin-orbit layer to the magnetic ultra-thin film.
The application of a spin-lattice Poisson bracket to this energy (as described in (Tranchida)) allows to derive a magnetic torque omega, and a mechanical force F (for spin-lattice calculations only) for each magnetic particle i:
More details about the derivation of these torques/forces are reported in (Tranchida).
For the spin/dmi pair style, the following coefficients must be defined for each pair of atoms types via the pair_coeff command as in the examples above, or in the data file or restart files read by the read_data or read_restart commands, and set in the following order:
rc (distance units)
|D| (energy units)
Dx, Dy, Dz (direction of D)
Note that rc is the radius cutoff of the considered DM interaction, |D| is the norm of the DM vector (in eV), and Dx, Dy and Dz define its direction.
None of those coefficients is optional. If not specified, the spin/dmi pair style cannot be used.
All the pair/spin styles are part of the SPIN package. These styles are only enabled if LAMMPS was built with this package, and if the atom_style “spin” was declared. See the Build package doc page for more info.