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CALCULATION OF ELECTRONIC BAND STRUCTURE OF FERROELECTRIC SEMICONDUCTOR BISMUTH NIOBIUM OXYFLUORIDE (Bi2NbO5F) CRYSTAL

Yıl 2014, Cilt: 27 Sayı: 4, 1099 - 1103, 11.08.2014

Sinem Erden Gulebaglan Emel Kilit Dogan Murat Aycıbın , Bahattin Erdinç Emma Mccabe Duygu Duran Nurullah Secuk Sinem Gülebağlan Emel Doğan Murat Aycibin , Harun Akkuş

Öz

In this study, the geometric structural optimization, electronic band structure and total density of states for electrons of ferroelectric Bi2NbO5F structure with space group Pca21 at room temperature have been investigated by Augmented Plane Wave method (APW) using the density functional theory (DFT) under the local density approximation (LDA). The ground state properties of ferroelectric Bi2NbO5F structure are studied. The computed ground state properties and experimental results are consistent. The energy band structure of Bi2NbO5F compound below Tc shows that it is a ferroelectric semiconductor with narrow band gap of 0.0589 eV. Unfortunately, there is neither experimental nor theoretical electronic band structure study of Bi2NbO5F crystal in the literature, so we could not compare our results. 

Anahtar Kelimeler

Density functional theory; Electronic band structure; Optical properties.

Kaynakça

  • Kohn W and Sham L J Phys. Rev. 140 A1133, (1965).

Yıl 2014, Cilt: 27 Sayı: 4, 1099 - 1103, 11.08.2014

Sinem Erden Gulebaglan Emel Kilit Dogan Murat Aycıbın , Bahattin Erdinç Emma Mccabe Duygu Duran Nurullah Secuk Sinem Gülebağlan Emel Doğan Murat Aycibin , Harun Akkuş

Öz

Kaynakça

  • Kohn W and Sham L J Phys. Rev. 140 A1133, (1965).
Toplam 1 adet kaynakça vardır.

Ayrıntılar

Birincil Dil İngilizce
Bölüm Physics
Yazarlar

Sinem Erden Gulebaglan

Emel Kilit Dogan

Murat Aycıbın

Bahattin Erdinç

Emma Mccabe

Duygu Duran

Nurullah Secuk

Sinem Gülebağlan

Emel Doğan

Murat Aycibin

Harun Akkuş

Yayımlanma Tarihi 11 Ağustos 2014
Yayımlandığı Sayı Yıl 2014 Cilt: 27 Sayı: 4

Kaynak Göster

APA Gulebaglan, S. E., Dogan, E. K., Aycıbın, M., Erdinç, B., vd. (2014). CALCULATION OF ELECTRONIC BAND STRUCTURE OF FERROELECTRIC SEMICONDUCTOR BISMUTH NIOBIUM OXYFLUORIDE (Bi2NbO5F) CRYSTAL. Gazi University Journal of Science, 27(4), 1099-1103.
AMA Gulebaglan SE, Dogan EK, Aycıbın M, Erdinç B, Mccabe E, Duran D, Secuk N, Gülebağlan S, Doğan E, Aycibin M, Akkuş H. CALCULATION OF ELECTRONIC BAND STRUCTURE OF FERROELECTRIC SEMICONDUCTOR BISMUTH NIOBIUM OXYFLUORIDE (Bi2NbO5F) CRYSTAL. Gazi University Journal of Science. Kasım 2014;27(4):1099-1103.
Chicago Gulebaglan, Sinem Erden, Emel Kilit Dogan, Murat Aycıbın, Bahattin Erdinç, Emma Mccabe, Duygu Duran, Nurullah Secuk, Sinem Gülebağlan, Emel Doğan, Murat Aycibin, ve Harun Akkuş. “CALCULATION OF ELECTRONIC BAND STRUCTURE OF FERROELECTRIC SEMICONDUCTOR BISMUTH NIOBIUM OXYFLUORIDE (Bi2NbO5F) CRYSTAL”. Gazi University Journal of Science 27, sy. 4 (Kasım 2014): 1099-1103.
EndNote Gulebaglan SE, Dogan EK, Aycıbın M, Erdinç B, Mccabe E, Duran D, Secuk N, Gülebağlan S, Doğan E, Aycibin M, Akkuş H (01 Kasım 2014) CALCULATION OF ELECTRONIC BAND STRUCTURE OF FERROELECTRIC SEMICONDUCTOR BISMUTH NIOBIUM OXYFLUORIDE (Bi2NbO5F) CRYSTAL. Gazi University Journal of Science 27 4 1099–1103.
IEEE S. E. Gulebaglan, “CALCULATION OF ELECTRONIC BAND STRUCTURE OF FERROELECTRIC SEMICONDUCTOR BISMUTH NIOBIUM OXYFLUORIDE (Bi2NbO5F) CRYSTAL”, Gazi University Journal of Science, c. 27, sy. 4, ss. 1099–1103, 2014.
ISNAD Gulebaglan, Sinem Erden vd. “CALCULATION OF ELECTRONIC BAND STRUCTURE OF FERROELECTRIC SEMICONDUCTOR BISMUTH NIOBIUM OXYFLUORIDE (Bi2NbO5F) CRYSTAL”. Gazi University Journal of Science 27/4 (Kasım 2014), 1099-1103.
JAMA Gulebaglan SE, Dogan EK, Aycıbın M, Erdinç B, Mccabe E, Duran D, Secuk N, Gülebağlan S, Doğan E, Aycibin M, Akkuş H. CALCULATION OF ELECTRONIC BAND STRUCTURE OF FERROELECTRIC SEMICONDUCTOR BISMUTH NIOBIUM OXYFLUORIDE (Bi2NbO5F) CRYSTAL. Gazi University Journal of Science. 2014;27:1099–1103.
MLA Gulebaglan, Sinem Erden vd. “CALCULATION OF ELECTRONIC BAND STRUCTURE OF FERROELECTRIC SEMICONDUCTOR BISMUTH NIOBIUM OXYFLUORIDE (Bi2NbO5F) CRYSTAL”. Gazi University Journal of Science, c. 27, sy. 4, 2014, ss. 1099-03.
Vancouver Gulebaglan SE, Dogan EK, Aycıbın M, Erdinç B, Mccabe E, Duran D, Secuk N, Gülebağlan S, Doğan E, Aycibin M, Akkuş H. CALCULATION OF ELECTRONIC BAND STRUCTURE OF FERROELECTRIC SEMICONDUCTOR BISMUTH NIOBIUM OXYFLUORIDE (Bi2NbO5F) CRYSTAL. Gazi University Journal of Science. 2014;27(4):1099-103.