ELECTRONIC-STRUCTURE OF STISHOVITE

The band structure and the total density of states (DOS) have been cal culated for stishovite using both an ab-initio pseudopotential code an d the Linearized Augmented Plane Wave (LAPW) method. In particular, pr ojected densities of states at both Si and O sites have been calculate d for comparison with inner shell line structures. The low loss spectr um has been estimated. An appreciable amount of ionic behavior was fou nd with oxygen taking charge away from silicon. Our results are in rea sonable agreement with previous calculations. The electron energy-loss K and L-2,L-3 near edge structures were also calculated and compared with experimental measurements. (C) 1998 Published by Elsevier Science Ltd.