Electronic and optical properties of GaS: A first-principles study

Bahattin ERDİNC; Harun AKKUS; Kadir GÖKSEN

Makale detayları

Electronic and optical properties of GaS: A first-principles study

Yazarlar:

Bahattin ERDİNC | Harun AKKUS | Kadir GÖKSEN

Yayıncı:

Gazi University

Ana Başlıklar:

Uygulamalı fizik

Dergi:

Gazi University Journal of Science 2010 Vol.23 Issue 4, pp.413-422

Belge Tipi:

Makale

Yayın Tarihi:

3/2010

Belge Dili:

İngilizce

Document ID (Org No.):

2000429774

eISSN:

2147-1762

Özet:

 


The electronic band structure and optical properties of hexagonal GaS are investigated using the density functional theory. The calculated band structure shows that the crystal has an indirect band gap with the value of 1.54 eV in the Brillouin zone at the  Γ→M. The structural optimization has been performed using the generalized gradient approximation (GGA) and the local density approximation (LDA). The calculated structure optimization of GaS has been compared with the experimental results and has been found to be in good agreement with each other. Furthermore, the linear photon-energy-dependent dielectric functions and some optical constants such as energy-loss functions for volume and surface, extinction, reflectivity and absorption coefficients, refractive index and effective number of valence electrons per unit cell participating in the interband transitions have been calculated.  

 

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Makale detayları

Electronic and optical properties of GaS: A first-principles study

Yazarlar: Bahattin ERDİNC | Harun AKKUS | Kadir GÖKSEN

Yayıncı: Gazi University

Ana Başlıklar: Uygulamalı fizik

Dergi: Gazi University Journal of Science 2010 Vol.23 Issue 4, pp.413-422

Belge Tipi: Makale

Yayın Tarihi: 3/2010

Belge Dili: İngilizce

Document ID (Org No.): 2000429774

eISSN: 2147-1762

Sayı

Yazarlar:

Bahattin ERDİNC | Harun AKKUS | Kadir GÖKSEN

Yayıncı:

Gazi University

Ana Başlıklar:

Uygulamalı fizik

Dergi:

Gazi University Journal of Science 2010 Vol.23 Issue 4, pp.413-422

Belge Tipi:

Makale

Yayın Tarihi:

3/2010

Belge Dili:

İngilizce

Document ID (Org No.):

2000429774

eISSN:

2147-1762