Abstract
We present an ab initio calculation of the electron energy loss spectrum of rutile in the energy range of 0 to 60 eV, focusing our interest on the excitation from the titanium semicore levels. The results are compared to our measurements. Local field effects turn out to be crucial at those energies, and their inclusion in the calculation yields excellent agreement between theory and experiment. We show how in rutile these effects induce an anisotropy in the otherwise isotropic transitions from quasispherical semicore states to states of almost cubic symmetry.
- Received 30 May 2001
DOI:https://doi.org/10.1103/PhysRevLett.88.037601
©2002 American Physical Society