Abstract
A Monte Carlo program for the simulation of channeling phenomena in crystals is described. Results of the program are compared with experimental yields for Nb, Li, and O from angular scans through the 〈0001〉, 〈022¯1〉, 〈04¯41〉, and 〈112¯0〉 axial directions and through the (0001) planar direction obtained with 1.6-MeV and proton beams. A set of calculated angular scans for different axial and planar directions, and different impurity locations in , is presented. The program has been applied to identify the lattice location of Nd, Eu, and Hf in , and that of Lu and Hf in Mg-doped by comparing the experimental data with the simulated angular scans. The results confirm that the Hf atoms occupy substitutional Li sites and Eu and Nd atoms lie at a position shifted by ≊0.4 Å from the regular Li site along the c axis and towards the nearest oxygen plane in . The Hf and Lu atoms occupy the Nb and Li sites respectively if the is codoped with Mg atoms.
- Received 20 January 1993
DOI:https://doi.org/10.1103/PhysRevB.48.3600
©1993 American Physical Society