Silicon based counterpart of alpha graphyne
Yazarlar (2)
E. Aktürk
Aydin Adnan Menderes University, Türkiye
Aydin Adnan Menderes University, Türkiye
Prof. Dr. Gökhan GÖKOĞLU Karabük Üniversitesi, Türkiye
| Makale Türü | Özgün Makale (SSCI, AHCI, SCI, SCI-Exp dergilerinde yayınlanan tam makale) | ||
| Dergi Adı | Physics Letters Section A General Atomic and Solid State Physics (Q2) | ||
| Dergi ISSN | 0375-9601 Dergi Bilgileri (2014) | ||
| Dergi Tarandığı Indeksler | SCI-Expanded | ||
| Makale Dili | İngilizce | Basım Tarihi | 03-2014 |
| Kabul Tarihi | – | Yayınlanma Tarihi | 01-03-2014 |
| Cilt / Sayı / Sayfa | 378 / 18 / 1313–1315 | DOI | 10.1016/j.physleta.2014.03.006 |
| Makale Linki | http://linkinghub.elsevier.com/retrieve/pii/S0375960114002394 | ||
| UAK Araştırma Alanları |
Yoğun Madde Fiziği
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| 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 δ z≅ 0.73 and Δ z≅ 1.45 Å) has≈ 2.33 eV and≈ 1.96 eV 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. |
| Anahtar Kelimeler |
| Atomic scale structure | Computer simulation | Nanostructured material | Silicene |
Science Direct
Silicon based counterpart of alpha graphyne
BM Sürdürülebilir Kalkınma Amaçları
| Atıf Sayıları | |
| Web of Science | 4 |
| Scopus | 4 |
| Google Scholar | 4 |