Abstract
The establishment of a dynamical procedure to develop suitable theoretical models and the production of new data and knowledge for the purpose of materials design are set as the final target of developing a computerized materials data system on high-Tc superconducting materials. Suitable data formats are proposed and required functions of data ananlysis are developed for this purpose with flexibility for continuously data updating. A series of case studies are carried out to demonstrate the efficiency of the proposed data processing method and the validation of a developed theoretical model that reflects the energy-level structure of carrier holes. The calculations of the Madelung potentials for the high-Tc superconducting cuprates are taken as the first step of developing this theoretical model. The case studies using the developed model confirm the important role that hole transfer plays in determining the superconducting properties of yttrium superconducting cuprates, and also show a direction of materials developments effectively.
