TY - JOUR
T1 - A simple method to evaluate the Coulomb potential at the polar surface of an ionic crystal
AU - Ebert, W.
AU - Kung, H. H.
N1 - Funding Information:
Support of this work by NSF grant DMR 82-l 6972 through the Northwestern Universrty Materials Research Center is gratefully acknowledged.
PY - 1985/7/19
Y1 - 1985/7/19
N2 - 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.
AB - 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.
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U2 - 10.1016/0009-2614(85)85298-2
DO - 10.1016/0009-2614(85)85298-2
M3 - Article
AN - SCOPUS:24244442002
VL - 118
SP - 203
EP - 206
JO - Chemical Physics Letters
JF - Chemical Physics Letters
SN - 0009-2614
IS - 2
ER -