| Yazarlar |
Doç. Dr. Abdullah CANDAN
Kırşehir Ahi Evran Üniversitesi |
Gokay Ugur
|
|
TE Simos
|
|
Z Kalogiratou
|
|
T Monovasilis
|
| Özet |
| We have performed ab-initio calculations of the structural, electronic, elastic and dynamical properties for the spinel compounds CdX2O4 (X=Al, Ga, In) using the plane wave pseudo-potential method within the generalized gradient approximation (GGA). The calculated lattice parameters, elastic constants for these compounds are in good agreement with the previous calculated values. The computed direct band gaps of CdAl2O4, CdGa2O4 and CdIn2O4 are 2.90 eV, 1.92 eV and 1.16 eV, respectively. The lattice vibrations were calculated by direct method. The calculated phonon dispersion curves show that all compounds are dynamically stable in the spinel structure. |
| Anahtar Kelimeler |
| Spinel oxides, band gap, elastic constants, phonon dispersion curves |
| Bildiri Türü | Tebliğ/Bildiri |
| Bildiri Alt Türü | Tam Metin Olarak Yayımlanan Tebliğ (Uluslararası Kongre/Sempozyum) |
| Bildiri Niteliği | Alanında Hakemli Uluslararası Kongre/Sempozyum |
| Bildiri Dili | İngilizce |
| Kongre Adı | 10th International Conference of Computational Methods in Sciences and Engineering |
| Kongre Tarihi | 04-04-2014 / 07-04-2014 |
| Basıldığı Ülke | |
| Basıldığı Şehir | Athens, Greece |
| Atıf Sayıları | |
| Google Scholar | 6 |
