There are essentially different forms of solar cell panels that are used in either for domestic uses or industrial purposes depending on the semiconductor materials. Actually, there are enormous amount of semiconductor and these various types can be combined or adjust the composition of the material can form the new compound of semiconductor. In this paper, the basic concepts of semiconductors that are used for in all aspects of material science and optical devices are firstly described with both theoretical and mathematical approaches. The main objective of this research is to design and analyse the band diagram design of semiconductor materials which are used for high performance solar cells. This paper describes the fundamental theory of semiconductors, the properties analysis and band gap design of materials for solar cells. Firstly, as the physical properties play a vital role in semiconductor measurements, the properties such as effective mass of majority and minority carriers, the dielectric constants and energy band gaps are calculated. Depending on the specified semiconductor material, the required parameters and the mathematical calculation are performed based on the existing equations. Secondly, the optical properties and the characteristics curves of semiconductor materials are discussed. Numerical values of each parameter which are included in analysis are defined in order to achieve the current-voltage characteristic for specific solar cell and then these resultant values are predicted for the performance of solar cells. Finally, the energy band diagram and efficiency of semiconductor solar cells are presented. Therefore, this research is focused in analyzing the useful properties of semiconductor materials for solar cells. The computerized analyses have also mentioned in this paper.