forked from lijiext/lammps
74 lines
2.0 KiB
Plaintext
74 lines
2.0 KiB
Plaintext
"LAMMPS WWW Site"_lws - "LAMMPS Documentation"_ld - "LAMMPS Commands"_lc :c
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:link(lws,http://lammps.sandia.gov)
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:link(ld,Manual.html)
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:link(lc,Commands_all.html)
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:line
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pair_style spin/magelec command :h3
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[Syntax:]
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pair_style spin/magelec cutoff :pre
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cutoff = global cutoff pair (distance in metal units) :ulb,l
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:ule
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[Examples:]
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pair_style spin/magelec 4.5
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pair_coeff * * magelec 4.5 0.00109 1.0 1.0 1.0 :pre
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[Description:]
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Style {spin/me} computes a magneto-electric interaction between
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pairs of magnetic spins. According to the derivation reported in
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"(Katsura)"_#Katsura1, this interaction is defined as:
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:c,image(Eqs/pair_spin_me_interaction.jpg)
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where si and sj are neighboring magnetic spins of two particles,
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eij = (ri - rj)/|ri-rj| is the normalized separation vector between the
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two particles, and E is an electric polarization vector.
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The norm and direction of E are giving the intensity and the
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direction of a screened dielectric atomic polarization (in eV).
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From this magneto-electric interaction, each spin i will be submitted
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to a magnetic torque omega, and its associated atom can be submitted to a
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force F for spin-lattice calculations (see "fix_nve_spin"_fix_nve_spin.html),
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such as:
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:c,image(Eqs/pair_spin_me_forces.jpg)
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with h the Planck constant (in metal units).
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More details about the derivation of these torques/forces are reported in
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"(Tranchida)"_#Tranchida4.
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:line
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[Restrictions:]
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All the {pair/spin} styles are part of the SPIN package. These styles
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are only enabled if LAMMPS was built with this package, and if the
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atom_style "spin" was declared. See the "Build
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package"_Build_package.html doc page for more info.
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[Related commands:]
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"atom_style spin"_atom_style.html, "pair_coeff"_pair_coeff.html,
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"pair_spin_exchange"_pair_spin_exchange.html, "pair_eam"_pair_eam.html,
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[Default:] none
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:line
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:link(Katsura1)
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[(Katsura)] H. Katsura, N. Nagaosa, A.V. Balatsky. Phys. Rev. Lett., 95(5), 057205. (2005)
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:link(Tranchida4)
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[(Tranchida)] Tranchida, Plimpton, Thibaudeau, and Thompson,
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Journal of Computational Physics, 372, 406-425, (2018).
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