pair_style spin/exchange command
pair_style spin/exchange cutoff
- cutoff = global cutoff pair (distance in metal units)
pair_style spin/exchange 4.0 pair_coeff * * exchange 4.0 0.0446928 0.003496 1.4885 pair_coeff 1 2 exchange 6.0 -0.01575 0.0 1.965
Style spin/exchange computes the exchange interaction between pairs of magnetic spins:
where si and sj are two neighboring magnetic spins of two particles, rij = ri - rj is the inter-atomic distance between the two particles, and J(rij) is a function defining the intensity and the sign of the exchange interaction.
This function is defined as:
where a, b and d are the three constant coefficients defined in the associated “pair_coeff” command.
The coefficients a, b, and d need to be fitted so that the function above matches with the value of the exchange interaction for the N neighbor shells taken into account.
Examples and more explanations about this function and its parametrization are reported in (Tranchida).
From this exchange interaction, each spin i will be submitted to a magnetic torque omega, and its associated atom can be submitted to a force F for spin-lattice calculations (see fix_nve_spin), such as:
with h the Planck constant (in metal units).
More details about the derivation of these torques/forces are reported in (Tranchida).
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 Making LAMMPS section for more info.