Yoğunluk fonksiyonel teorisi ile Be ve Ti bazlı sistemlerin elektronik yapılarının incelenmesi
Özet
In this thesis, we have investigated the structure of WIEN2k program and tested for the TiC compound. The energy band structure, the density of states, the density of electrons for the BeS, BeSe, BeTe compounds have been calculated by this program. We have compared our results with the previously experimental and theorical works. It is seem that our findings are in good agreement with that of the earlier studies.