First principles study on the electronic properties of BN nanowires

Özkapi, Sena; ÖZKAPI, BARIŞ; ÖZKİŞİ, HARUN; DALGIÇ, SEYFETTİN

doi:10.1016/j.matpr.2017.09.077

First principles study on the electronic properties of BN nanowires

Özkapi S. G., ÖZKAPI B., ÖZKİŞİ H., DALGIÇ S.

Materials Today: Proceedings, cilt.4, sa.11, ss.11644-11648, 2017 (Scopus)

Yayın Türü: Makale / Özet
Cilt numarası: 4 Sayı: 11
Basım Tarihi: 2017
Doi Numarası: 10.1016/j.matpr.2017.09.077
Dergi Adı: Materials Today: Proceedings
Derginin Tarandığı İndeksler: Scopus
Sayfa Sayıları: ss.11644-11648
Trakya Üniversitesi Adresli: Evet

Özet

The electronic and structural properties of BN nanowires are studied by using first principles calculations based on density functional theory. In order to understand dependence of the electronic band structures and density of states on nanowire diameters and shapes, we consider BN nanowires with various diameters in the [001] growth direction. Our results reveal that the effect of changing diameter on electronic properties plays an important role and the band gap can be tuned by changing the wire diameter.