Band Structure and Optical Properties of BiOCl: Density Functional Calculation

Husnu KOC; Harun AKKUS; Amirullah MAMEDOV

Makale detayları

Band Structure and Optical Properties of BiOCl: Density Functional Calculation

Yazarlar:

Husnu KOC | Harun AKKUS | Amirullah MAMEDOV

Yayıncı:

Gazi University

Ana Başlıklar:

Uygulamalı fizik

Dergi:

Gazi University Journal of Science 2012 Vol.25 Issue 1, pp.9-17

Belge Tipi:

Makale

Yayın Tarihi:

1/2012

Belge Dili:

İngilizce

Document ID (Org No.):

2000429479

eISSN:

2147-1762

Özet:

 


The electronic band structures, density of states (DOS) and optical properties of  BiOCl Crystal are investigated using the density functional theory under the local density approximation (LDA). The obtained electronic band structure show that BiOCl crystal has an indirect forbidden band gap of 2.45 eV. The structural optimization for BiOCl has been performed using the LDA. The result of the structure optimization of BiOCl have been compared with the experimental results and have been found to be in good agreement with these results. The linear photon-energy dependent dielectric functions and some optical properties such as the energy-loss function, the effective number of valence electrons and the effective optical dielectric constant are calculated.   

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Makale detayları

Band Structure and Optical Properties of BiOCl: Density Functional Calculation

Yazarlar: Husnu KOC | Harun AKKUS | Amirullah MAMEDOV

Yayıncı: Gazi University

Ana Başlıklar: Uygulamalı fizik

Dergi: Gazi University Journal of Science 2012 Vol.25 Issue 1, pp.9-17

Belge Tipi: Makale

Yayın Tarihi: 1/2012

Belge Dili: İngilizce

Document ID (Org No.): 2000429479

eISSN: 2147-1762

Sayı

Yazarlar:

Husnu KOC | Harun AKKUS | Amirullah MAMEDOV

Yayıncı:

Gazi University

Ana Başlıklar:

Uygulamalı fizik

Dergi:

Gazi University Journal of Science 2012 Vol.25 Issue 1, pp.9-17

Belge Tipi:

Makale

Yayın Tarihi:

1/2012

Belge Dili:

İngilizce

Document ID (Org No.):

2000429479

eISSN:

2147-1762