| Yazarlar (2) |
Ethem Aktürk
Adnan Menderes Üniversitesi, Türkiye |
Prof. Dr. Gökhan GÖKOĞLU
Karabük Üniversitesi, Türkiye |
| Özet |
| We present the first principles density functional calculations of electronic structure and energetics of silicon-based counterpart of α-graphyne, labeled as α-silicyne. Both LDA and GGA functionals are applied for exchange-correlation potentials. We show that graphyne-like silicon in 2D buckled structure (equilibrium buckling δz≅0.73 and Δz≅1.45Å) has 2.33eV and 1.96eV lower energies than planar geometry for GGA and LDA functionals, respectively. The single and triple bond lengths of silicon are consistent with previously reported values. As a different case from graphyne, which is semimetallic, the electronic band structures of buckled α-silicyne do not show Dirac fermion indicating a metallic nature. The metallic character of the system is largely determined by p-electronic states of the triple bonded silicon atoms. © 2014 Elsevier B.V. |
| Anahtar Kelimeler |
| Atomic scale structure | Computer simulation | Nanostructured material | Silicene |
| Makale Türü | Özgün Makale |
| Makale Alt Türü | SSCI, AHCI, SCI, SCI-Exp dergilerinde yayımlanan tam makale |
| Dergi Adı | PHYSICS LETTERS A |
| Dergi ISSN | 0375-9601 Wos Dergi Scopus Dergi |
| Dergi Tarandığı Indeksler | SCI-Expanded |
| Dergi Grubu | Q2 |
| Makale Dili | İngilizce |
| Basım Tarihi | 03-2014 |
| Cilt No | 378 |
| Sayı | 18 |
| Sayfalar | 1313 / 1315 |
| Doi Numarası | 10.1016/j.physleta.2014.03.006 |
| Makale Linki | http://linkinghub.elsevier.com/retrieve/pii/S0375960114002394 |
| Atıf Sayıları | |
| WoS | 3 |
| SCOPUS | 3 |
| Google Scholar | 3 |
