T. Oda et al., ROLE OF ELECTRON-PHONON INTERACTION IN LATTICE-DYNAMICS AND SUPERCONDUCTIVITY OF OXIDE SPINEL LITI2O4, Journal of superconductivity, 7(3), 1994, pp. 555-558
The lattice dynamics of an oxide spinel LiTi2O4 is studied by taking a
ccount of the electron-phonon (EP) interaction derived on the basis of
the realistic tight-binding bands fitted to the first-principles band
s. Due to the characteristic dependences of the EP interaction on wave
vectors and vibrational modes, a remarkable frequency renormalization
of the O vibrational modes, which hybridize with the Ti vibrational mo
des, is obtained over a wide region of the Brillouin zone. The overall
features of the calculated phonon density of states are in agreement
with those observed by the inelastic neutron scattering measurements.
By using the EP interaction and the renormalized phonon frequencies we
have calculated the EP spectral function alpha2F(omega)). The superco
nducting transition temperature, gap function, and tunneling spectra a
re calculated by solving the Eliashberg equation. The results agree we
ll with the observations.