Abstract
First principles and pseudopotential approaches have been used to investigate the electronic properties of α and β polymorphs about compounds Ti3SiC2 and Ti3GeC2. In order to study the variations in properties induced by two different elements in the same phase, the effects of Si substitution to Ge are considered. For both α and β-phase, it is found that the replacement of Ge to Si doesn' t change much their original electronic properties, and the main differences in total density of states between −9 to −6 eV mainly derive from the changes of s orbit at 2b or 2d Wyckoff positions.
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