M. Barrachin et al., ORDER AND DISORDER IN NI3V - EFFECTIVE PAIR INTERACTIONS AND THE ROLEOF ELECTRONIC EXCITATIONS, Physical review. B, Condensed matter, 50(17), 1994, pp. 12980-12983
In situ neutron diffuse scattering experiments were performed on disor
dered Ni3V. Effective pair interactions (EPI) were deduced from the me
asured short-range order parameters. The EPI were used to predict succ
essfully the disordering temperature and the temperature dependence of
the excess free energies of two different antiphases in the ordered p
hase. We also computed the energy difference between DO22 and L1(2): o
ur result is eight times lower than found by electronic structure calc
ulations at 0 K. This discrepancy is partly due to electronic excitati
ons.