| Yazarlar (3) |
Fatih Ersan
Adnan Menderes Üniversitesi, Türkiye |
Prof. Dr. Gökhan GÖKOĞLU
Karabük Üniversitesi, Türkiye |
|
Ethem Aktürk
Adnan Menderes Üniversitesi, Türkiye |
| Özet |
| In this paper, we investigate two- and one-dimensional honeycomb structures of boron antimony (BSb) using a first-principles plane wave method within the density functional theory. BSb with a two-dimensional honeycomb structure is a semiconductor with a 0.336eV band gap. The vacancy defects, such as B, Sb, B+Sb divacancy, and B+Sb antisite disorder affect the electronic and magnetic properties of the 2D BSb sheet. All the structures with vacancies have nonmagnetic metallic characters, while the system with antisite disorder has a semiconducting band structure. We also examine bare and hydrogen-passivated quasi-one-dimensional armchair BSb nanoribbons. The effects of ribbon width (n) on an armchair BSb nanoribbon and hydrogen passivation on both B and Sb edge atoms are considered. The band gaps of bare and H passivated A-Nr-BSb oscillate with increasing ribbon width; this property is important for quantum dots. For ribbon width n=12, the bare A-Nr-BSb is a nonmagnetic semiconductor with a 0.280eV indirect band gap, but it becomes a nonmagnetic metal when B edge atoms are passivated with hydrogen. When Sb atoms are passivated with hydrogen, a ferromagnetic half-metallic ground state is observed with 2.09μB magnetic moment. When both B and Sb edges are passivated with hydrogen, a direct gap semiconductor is obtained with 0.490eV band gap with disappearance of the bands of edge atoms. © 2014 IOP Publishing Ltd. |
| Anahtar Kelimeler |
| BSb | density functional theory | nanoribbon |
| Makale Türü | Özgün Makale |
| Makale Alt Türü | SSCI, AHCI, SCI, SCI-Exp dergilerinde yayımlanan tam makale |
| Dergi Adı | JOURNAL OF PHYSICS-CONDENSED MATTER |
| Dergi ISSN | 0953-8984 Wos Dergi Scopus Dergi |
| Dergi Tarandığı Indeksler | SCI-Expanded |
| Dergi Grubu | Q2 |
| Makale Dili | İngilizce |
| Basım Tarihi | 08-2014 |
| Cilt No | 26 |
| Sayı | 32 |
| Sayfalar | 325303 / 0 |
| Doi Numarası | 10.1088/0953-8984/26/32/325303 |
| Makale Linki | http://stacks.iop.org/0953-8984/26/i=32/a=325303?key=crossref.04c6e4ebbff30a8b13a51fd49d93895c |
| Atıf Sayıları | |
| WoS | 24 |
| SCOPUS | 25 |
| Google Scholar | 28 |
