T ZrS nanoribbons structure and electronic properties
Yazarlar (5)
Fatih Ersan Adnan Menderes Üniversitesi, Türkiye
Yelda Kadıoğlu Adnan Menderes Üniversitesi, Türkiye
Prof. Dr. Gökhan GÖKOĞLU Karabük Üniversitesi, Türkiye
Olcay Üzengi Aktürk Adnan Menderes Üniversitesi, Türkiye
Ethem Aktürk Adnan Menderes Üniversitesi, Türkiye
| Makale Türü | Özgün Makale (SSCI, AHCI, SCI, SCI-Exp dergilerinde yayınlanan tam makale) | ||
| Dergi Adı | Philosophical Magazine (Q1) | ||
| Dergi ISSN | 1478-6435 Dergi Bilgileri (2016) | ||
| Dergi Tarandığı Indeksler | SCI-Expanded | ||
| Makale Dili | İngilizce | Basım Tarihi | 06-2016 |
| Kabul Tarihi | 06-05-2016 | Yayınlanma Tarihi | 27-05-2016 |
| Cilt / Sayı / Sayfa | 96 / 20 / 2074–2087 | DOI | 10.1080/14786435.2016.1189101 |
| Makale Linki | http://www.tandfonline.com/doi/full/10.1080/14786435.2016.1189101 | ||
| UAK Araştırma Alanları |
Yoğun Madde Fiziği
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| Özet |
| Recently, monolayer and few layers of trigonal phases of zirconium disulfide (T-ZrS) sheets were obtained experimentally on hexagonal boron nitride using an evaporation technique. On the basis of these previous results, we report the structural and electronic properties of armchair nanoribbons (ANRs) and zigzag nanoribbons (ZNRs) of T-ZrS by means of density functional theory. According to our results, both ANRs and ZNRs are nonmagnetic semiconductors similar to a two-dimensional T-ZrS monolayer. The semiconducting character is not altered by termination of the edge atoms with hydrogen. The band gaps are associated with the ribbon widths and edge structures. The band gaps of bare and H-terminated ANR-ZrS decrease exponentially, whereas the band gaps of ultra-narrow zigzag nanoribbons oscillate slightly with increasing ribbon width. Although the band gaps of bare ANRs approach that of 2D T … |
| Anahtar Kelimeler |
| density functional theory | electronic structure | nanoribbon | ZrS |
| Atıf Sayıları | |
| Web of Science | 7 |
| Scopus | 7 |
| Google Scholar | 9 |