Ab-initio calculations of structural,  optical and electronic properties of  AgBiS2

Gülten Kavak Balcı; Seyfettin Ayhan

Makale detayları

Ab-initio calculations of structural, optical and electronic properties of AgBiS2

Yazarlar:

Gülten Kavak Balcı | Seyfettin Ayhan

Yayıncı:

Ceyhun YILMAZ

Ana Başlıklar:

Mühendislik ve uygulamalı operasyonlar

Dergi:

International Advanced Researches and Engineering Journal 2018 Vol.2 Issue 1, pp.1-8

Belge Tipi:

Makale

Yayın Tarihi:

4/2018

Belge Dili:

İngilizce

Document ID (Org No.):

2000469589

Sıklık:

Üç Yıllık

eISSN:

2618-575X

Özet:

 


In this work, we use first-principles calculations based on density-functional theory generalized gradient approximation (Perdew Burke Ernzerhof, PBE). Cubic and hexagonal AgBiS2 structures have been performed using the self-consistent full-potential linearized augmented plane wave (FPLAPW) method to investigate the structural, optical and electronic properties. We have calculated the ground-state energy, the lattice constant, DOS, band gap and dielectric constant of cubic and hexagonal AgBiS2 by using Wien2k packet. The calculated physical properties of silver bismuth sulfide are compared with the experimental results and good agreement was observed.


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Makale detayları

Ab-initio calculations of structural, optical and electronic properties of AgBiS2

Yazarlar: Gülten Kavak Balcı | Seyfettin Ayhan

Yayıncı: Ceyhun YILMAZ

Ana Başlıklar: Mühendislik ve uygulamalı operasyonlar

Dergi: International Advanced Researches and Engineering Journal 2018 Vol.2 Issue 1, pp.1-8

Belge Tipi: Makale

Yayın Tarihi: 4/2018

Belge Dili: İngilizce

Document ID (Org No.): 2000469589

Sıklık: Üç Yıllık

eISSN: 2618-575X

Sayı

Yazarlar:

Gülten Kavak Balcı | Seyfettin Ayhan

Yayıncı:

Ceyhun YILMAZ

Ana Başlıklar:

Mühendislik ve uygulamalı operasyonlar

Dergi:

International Advanced Researches and Engineering Journal 2018 Vol.2 Issue 1, pp.1-8

Belge Tipi:

Makale

Yayın Tarihi:

4/2018

Belge Dili:

İngilizce

Document ID (Org No.):

2000469589

Sıklık:

Üç Yıllık

eISSN:

2618-575X