A Comprehensive Study on Physical Properties of Antiperovskite GeNCa3
Yazarlar (2)
Prof. Dr. Ahmet İYİGÖR
Kırşehir Ahi Evran Üniversitesi, Türkiye
Selgin Al
Kırşehir Ahi Evran Üniversitesi, Türkiye
| Makale Türü |
Özgün Makale
(Ulusal alan endekslerinde (TR Dizin, ULAKBİM) yayınlanan tam makale)
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| Dergi Adı | Sakarya Üniversitesi Fen Bilimleri Enstitüsü Dergisi | ||
| Dergi ISSN | 1301-4048 Scopus Dergi | ||
| Dergi Tarandığı Indeksler | TR DİZİN | ||
| Makale Dili | İngilizce | Basım Tarihi | 08-2019 |
| Cilt / Sayı / Sayfa | 23 / 4 / 700–706 | DOI | 10.16984/saufenbilder.489467 |
| Makale Linki | https://doi.org/10.16984/saufenbilder.489467 | ||
| Özet |
| A comprehensive study has been carried out in order to reveal physical properties of antiperovskite compoundGeNCa3 in the cubic structure. This study presents extensive properties including mechanical, electronic, vibrationaland thermodynamical by means of generalised gradient approximation approach within the density functional theory.The equilibrium lattice constant and bulk modulus of the compound are obtained via energy-volume data. Themechanical stability evaluation is conducted based on Born’s criteria using elastic constants. Subsequently, electronicband structures and partial and total densities of states are computed for antiperovskite GeNCa3. The electronic bandstructure of the compound reveals a metallic character with highest contribution to the conductivity Ge 4p and Ca 3dstates. Moreover, phonon distribution curve is obtained by employing the linear response technique. The resultsindicate a dynamically stable compound. Finally, thermodynamic properties such as entropy and specific heat valueand the results are presented. |
| Anahtar Kelimeler |
BM Sürdürülebilir Kalkınma Amaçları
| Atıf Sayıları | |
| Google Scholar | 2 |