Materials Science Forum, Vol.363-3, 570-572, 2001
LCAO fitting of positron 2D-ACAR momentum densities of non-metallic solids
We present a least-squares fitting method to fit and analyze momentum densities obtained by 2D-ACAR. The method uses an LCAO-MO as a fitting basis and thus is applicable to non-metals. Here ve illustrate the method by taking MgO as an example.
Keywords:2D-ACAR;insulators;LCAO;least squares fitting;molecular orbital;momentum density;non-metal;positron annihilation;semiconductor