Structural, elastic, electronic and vibrational properties of XAl2O4 (X = Ca, Sr and Cd) semiconductors with orthorhombic structure
Yazarlar (6)
S. Akbudak Adiyaman Üniversitesi, Türkiye
Prof. Dr. Abdullah CANDAN Kırşehir Ahi Evran Üniversitesi, Türkiye
A. K. Kushwaha K.N. Govt. P.G. College, Hindistan
A. C. Yadav K.N. Govt. P.G. College, Hindistan
G. Uğur Gazi Üniversitesi, Türkiye
Uğur Gazi Üniversitesi, Türkiye
| Makale Türü | Özgün Makale (SSCI, AHCI, SCI, SCI-Exp dergilerinde yayınlanan tam makale) | ||
| Dergi Adı | Journal of Alloys and Compounds (Q1) | ||
| Dergi ISSN | 0925-8388 Wos Dergi Scopus Dergi | ||
| Dergi Tarandığı Indeksler | SCI-Expanded | ||
| Makale Dili | İngilizce | Basım Tarihi | 08-2019 |
| Kabul Tarihi | 12-04-2026 | Yayınlanma Tarihi | 01-11-2019 |
| Cilt / Sayı / Sayfa | 809 / 1 / 151773–0 | DOI | 10.1016/j.jallcom.2019.151773 |
| Makale Linki | https://linkinghub.elsevier.com/retrieve/pii/S0925838819330063 | ||
| Özet |
| Structural, elastic, electronic and vibrational properties of XAl2O4 (X = Ca, Sr and Cd) compounds with orthorhombic structure are studied by first principles method within generalized gradient approximation. The calculated negative formation enthalpy for each compounds indicates the thermodynamical stability of the studied phase. Band structure calculations reveal that CaAl2O4, SrAl2O4 and CdAl2O4 compounds have a direct band gap of 4.86, 4.54 and 2.46 eV, respectively. Besides, from the analysis of the band gap values, one can notice that the replacement of Ca atoms by Sr and Cd atoms in these compounds reduces the band gap energy values. It is also observed that the CaAl2O4, SrAl2O4 and CdAl2O4 compounds are less compressible along b-axis and their compressibility decreases in the sequence SrAl2O4 > CdAl2O4 > CaAl2O4. Similarly, it is also noticeable that the CaAl2O4 compound … |
| Anahtar Kelimeler |
| Elastic constants | Orthorhombic structure | Phonon dispersion curves | Semiconductor |
Science Direct
Structural, elastic, electronic and vibrational properties of XAl2O4 (X = Ca, Sr and Cd) semiconductors with orthorhombic structure
BM Sürdürülebilir Kalkınma Amaçları
| Atıf Sayıları | |
| Google Scholar | 16 |
| Scopus | 8 |