摘要
应用Ｅｗａｌｄ方法计算了ＣａＦ２（１１１）、（１００）极性表面的马德隆势．结果表明马德隆势为了重现到体内值，表面区域的电荷将重新分布。
The Madelung potential of CaF 2 crystal with (111),(100) polar surface has been
evaluated by the Ewald method. In order to reproduce the bulk Madelung potential,the charges in
the surface layers is rearranged resulting in some unfilled ionic sites.
出处
《南京师大学报（自然科学版）》
CAS
CSCD
1999年第2期36-39,共4页
Journal of Nanjing Normal University(Natural Science Edition)
