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AbstractAbstract
[en] The electronic structure of SrBi4Cu4O94+, SrBi4Cu4O5S44+ clusters in the high-Tc superconductor Bi2Sr2CaCu2O8 doped by sulphur is calculated using the relativistic self-consistent Xα-SW method. The effective charges of atoms and electronic densities of states are obtained. The substitution O→S in Cu-O sheets is shown to result in hole doping and the improvement of hole hopping that may increase Tc. (orig.)
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ALKALINE EARTH METAL COMPOUNDS, BISMUTH COMPOUNDS, CALCIUM COMPOUNDS, CHALCOGENIDES, COPPER COMPOUNDS, ELECTRICAL PROPERTIES, MATERIALS, MATHEMATICAL MODELS, NUCLEAR MODELS, OXIDES, OXYGEN COMPOUNDS, PHYSICAL PROPERTIES, STRONTIUM COMPOUNDS, SUPERCONDUCTORS, THERMODYNAMIC PROPERTIES, TRANSITION ELEMENT COMPOUNDS
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