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Estimates of Anderson's electron-phonon coupling constants of small polarons localized at oxygen ions in Ni1-xLixO using a polarizable point-ion shell model

Anderson's electron-phonon coupling constants (λ) of a polaron localized at an O - ion and changes in ionic spacing ( x ) induced by electron-phonon interaction in Ni 1- x Li x O have been estimated by referring to the experimental results of dielectric measurements and dc-conductivities at low temperatures. Calculations based upon the combination of Anderson's attractive potential and a shell model yield λ and x of ∼ -3.7 eV/A and ∼ -9.8 × 10 -3 A between O - and Ni 2+ in [100] direction, and ∼ 0.59 eV/A and 6.9 × 10 -2 A between O - and O 2- in , respectively. This calculation provides evidence for the stability of polarons localized at oxygen sites.