Ab initio study of Li2 CaTa2 O7 compound: electronic and optical properties for  three phases

Murat AYCİBİN

Makale detayları

Ab initio study of Li2 CaTa2 O7 compound: electronic and optical properties for three phases

Yazarlar:

Murat AYCİBİN

Yayıncı:

TUBITAK

Dergi:

Turkish Journal of Physics 2019 Vol.43 Issue 4, pp.355-364

Belge Tipi:

Makale

Yayın Tarihi:

7/2019

Belge Dili:

İngilizce

Document ID (Org No.):

2000758980

Sıklık:

İki Aylık

eISSN:

1303-6122

pISSN:

1300-0101

Özet:

 

The Li2 CaTa2 O7 compound belongs to the Ruddlesden-Popper family of layered perovskites. First principle  approximation was used to investigate the electronic band structure and optical properties of the compound for three  phases. Independent of the studied compound's structural type, Li2 CaTa2 O7 has semiconductor behavior and direct  transition. In addition, the forbidden energy band gap of the compound decreases with rising temperature, as expected.  Furthermore, the 3d orbital of Ca contributes to the conduction band due to the crystal field effect. Moreover, the optical  response of the chosen axes of the compound to incoming electromagnetic rays varies with phase transition.

Makale detayları

Ab initio study of Li2 CaTa2 O7 compound: electronic and optical properties for three phases

Yazarlar: Murat AYCİBİN

Yayıncı: TUBITAK

Dergi: Turkish Journal of Physics 2019 Vol.43 Issue 4, pp.355-364

Belge Tipi: Makale

Yayın Tarihi: 7/2019

Belge Dili: İngilizce

Document ID (Org No.): 2000758980

Sıklık: İki Aylık

eISSN: 1303-6122

pISSN: 1300-0101

Sayı

Yazarlar:

Murat AYCİBİN

Yayıncı:

TUBITAK

Dergi:

Turkish Journal of Physics 2019 Vol.43 Issue 4, pp.355-364

Belge Tipi:

Makale

Yayın Tarihi:

7/2019

Belge Dili:

İngilizce

Document ID (Org No.):

2000758980

Sıklık:

İki Aylık

eISSN:

1303-6122

pISSN:

1300-0101