AB INITIO CALCULATION OF ELECTRONIC STRUCTURE OF SILICON Fd3m and Fm3m

Silicon is one of the most famous elements in semiconductor technology, which used solar cells, IC, diodes, transistors etc. has different crystals and amorphous structures, while electronic structures crystalline are calculated, with experimental computational methods. These crystallines made from same element but have properties. As Fd3m Fm3m similar Si crystal structure, In this work, we calculated band structure PDOS DFT method both compare their properties, to what them different. The shows gap 1.154 eV for crystal, it zero. Therefore, metal. This discrepancy came change distance between atoms angles at connected.