科研之友
微信
新浪微博
Facebook
分享链接
摘要
Ewald-parameter dependence of Coulomb interaction in ionic crystals was studied using a point-charge model. In the presence of the long-range interaction, the ion configuration breaks spherical symmetry of local potential and charge at each ion site, and gives non-scalar contributions to them. This non-scalar potential has similar effects to Heisenberg interaction, while is intrinsically distinct from conventional multipole expansions of the scalar potential. Symmetry and magnitude of the scalar and non-scalar potentials are similar for most materials despite the different definitions, but one exception can be seen in parent materials of hole-doped high-T-c cuprates.
- 出版日期2014-7
