Electronic structure of b-Si3N4 crystals with substitutional icosagen group impurities
Journal Of Optoelectronics And Advanced Materials, cilt.19, sa.34, ss.278-282, 2017 (SCI-Expanded, Scopus)
- Yayın Türü: Makale / Tam Makale
- Cilt numarası: 19 Sayı: 34
- Basım Tarihi: 2017
- Dergi Adı: Journal Of Optoelectronics And Advanced Materials
- Derginin Tarandığı İndeksler: Science Citation Index Expanded (SCI-EXPANDED), Scopus
- Sayfa Sayıları: ss.278-282
- Ankara Yıldırım Beyazıt Üniversitesi Adresli: Hayır
Özet
The β-Si 3 N 4 crystals are widely used in industrial and electronics areas. Therefore, β-Si 3 N 4 has drawn the attention of researchers for many years. In this study, effects of icosagen group impurity atoms in the IIIA group on the electronic properties of the β-Si3N4 crystal were analyzed by using the density functional theory. As a result of these analyses, it was determined that the electronic properties of the crystal change significantly. Basic electronic characteristics for pure β-Si3N4 crystal and icosagen group impurity β-Si 3 N 4 crystals, such as band structures, densities of states, binding energies, and formation energies were investigated. We identified that the band gap of the β-Si 3 N 4 crystal was affected significantly by the impurity, and this change was varying linearly in line with the formation energy for the impurity cases. As a result of calculations, the Al-impurity was found to be the lowest-energy impurity state.