In the evaluation of the Coulomb potential at a polar surface of an ionic crystal modelled by a slab, a satisfactory criterion to determine the effect of the second surface of the slab is lacking. A method is proposed to remove the effect of the second surface such that the potential at a polar surface of a semi-infinite crystal can be uniquely calculated.
ASJC Scopus subject areas
- Physics and Astronomy(all)
- Physical and Theoretical Chemistry