CALCULATION OF THE RECOILLESS GAMMA-RAY EMISSION-SPECTRA FROM A SUBSTITUTIONAL CATION IMPURITY DIFFUSING VIA THE (001) CHANNELS IN THE RUTILE STRUCTURE
K. Ruebenbauer et al., CALCULATION OF THE RECOILLESS GAMMA-RAY EMISSION-SPECTRA FROM A SUBSTITUTIONAL CATION IMPURITY DIFFUSING VIA THE (001) CHANNELS IN THE RUTILE STRUCTURE, Physical review. B, Condensed matter, 54(6), 1996, pp. 4006-4020
The large anisotropy of the diffusion coefficient for a substitutional
randomly diluted cationic impurity in the rutile structure, with the
diffusivity being much larger along the tetragonal axis as compared to
the diffusivity within a tetragonal plane, indicates that open and al
most empty [001] channels are involved along with an interstitialcy me
chanism to originate diffusion events lending an impurity from one to
another substitutional cationic site. This model is used to evaluate t
he resulting emission Mossbauer spectra of the impurity staying locall
y at equilibrium with the lattice and embedded in a single-crystalline
sample. Final results are shown for the 14.4 keV Mossbauer line in Co
-57 (Fe). It is shown that channel diffusivity is governed by the expo
nential law. and details of the electric-field-gradient relaxation due
to the diffusive motion of the probe are described from first princip
les.