Non-scalar contribution of potential in crystals |
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Authors: | H. Uchiyama |
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Affiliation: | Japan Synchrotron Radiation Research Institute, Koto 1-1-1, Sayo, Hyogo 679-5198, Japan |
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Abstract: | 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-Tc cuprates. |
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Keywords: | A. Oxides A. Superconductors D. Crystal fields |
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