Half-metallic ferromagnetism in Fe-doped and Zn-vacancy defected ZnSe: First-principles investigation

Vusala Jafarova; Aynur Jafarova; Asmer Abdullayeva; Musaver Musaev

Makale detayları

Half-metallic ferromagnetism in Fe-doped and Zn-vacancy defected ZnSe: First-principles investigation

Yazarlar:

Vusala Jafarova | Aynur Jafarova | Asmer Abdullayeva | Musaver Musaev

Yayıncı:

Turkish Chemical Society

Ana Başlıklar:

Physical Chemistry (Other)

Dergi:

Journal of the Turkish Chemical Society Section A: Chemistry Vol.11 Issue 3, pp.1297-1302

Belge Tipi:

Makale

Yayın Tarihi:

8/2024

Belge Dili:

İngilizce

Document ID (Org No.):

2001317698

pISSN:

2149-0120

Anahtar kelimeler:

Özet:

 The magnetic properties of defected ZnSe wurtzite systems were theoretically investigated using Density Functional Theory and Local Spin Density Approximation. From this first principal study, it was determined that pure ZnSe is a non-magnetic direct band gap semiconductor. Investigations show that adding the iron and the presence of a single Zn vacancy defect leads to the magnetization of ZnSe. The results of total energy calculations show that a ferromagnetic state is favorable when Zn is replaced with Fe. The ferromagnetic alignment in Fe-doped ZnSe wurtzite compound behaves in high-spin and half-metallic states.

 The magnetic properties of defected ZnSe wurtzite systems were theoretically investigated using Density Functional Theory and Local Spin Density Approximation. From this first principal study, it was determined that pure ZnSe is a non-magnetic direct band gap semiconductor. Investigations show that adding the iron and the presence of a single Zn vacancy defect leads to the magnetization of ZnSe. The results of total energy calculations show that a ferromagnetic state is favorable when Zn is replaced with Fe. The ferromagnetic alignment in Fe-doped ZnSe wurtzite compound behaves in high-spin and half-metallic states.

 The magnetic properties of defected ZnSe wurtzite systems were theoretically investigated using Density Functional Theory and Local Spin Density Approximation. From this first principal study, it was determined that pure ZnSe is a non-magnetic direct band gap semiconductor. Investigations show that adding the iron and the presence of a single Zn vacancy defect leads to the magnetization of ZnSe. The results of total energy calculations show that a ferromagnetic state is favorable when Zn is replaced with Fe. The ferromagnetic alignment in Fe-doped ZnSe wurtzite compound behaves in high-spin and half-metallic states.

 The magnetic properties of defected ZnSe wurtzite systems were theoretically investigated using Density Functional Theory and Local Spin Density Approximation. From this first principal study, it was determined that pure ZnSe is a non-magnetic direct band gap semiconductor. Investigations show that adding the iron and the presence of a single Zn vacancy defect leads to the magnetization of ZnSe. The results of total energy calculations show that a ferromagnetic state is favorable when Zn is replaced with Fe. The ferromagnetic alignment in Fe-doped ZnSe wurtzite compound behaves in high-spin and half-metallic states.

Makale detayları

Half-metallic ferromagnetism in Fe-doped and Zn-vacancy defected ZnSe: First-principles investigation

Yazarlar:

Vusala Jafarova | Aynur Jafarova | Asmer Abdullayeva | Musaver Musaev

Yayıncı:

Turkish Chemical Society

Ana Başlıklar:

Physical Chemistry (Other)

Dergi:

Journal of the Turkish Chemical Society Section A: Chemistry Vol.11 Issue 3, pp.1297-1302

Belge Tipi:

Makale

Yayın Tarihi:

8/2024

Belge Dili:

İngilizce

Document ID (Org No.):

2001317698

pISSN:

2149-0120

ZnSe:Fe

magnetic properties

ferromagnetism

half-metallic.

Sayı

Makale detayları

Half-metallic ferromagnetism in Fe-doped and Zn-vacancy defected ZnSe: First-principles investigation

Yazarlar: Vusala Jafarova | Aynur Jafarova | Asmer Abdullayeva | Musaver Musaev

Yayıncı: Turkish Chemical Society

Ana Başlıklar: Physical Chemistry (Other)

Dergi: Journal of the Turkish Chemical Society Section A: Chemistry Vol.11 Issue 3, pp.1297-1302

Belge Tipi: Makale

Yayın Tarihi: 8/2024

Belge Dili: İngilizce

Document ID (Org No.): 2001317698

pISSN: 2149-0120

ZnSe:Fe

magnetic properties

ferromagnetism

half-metallic.

Sayı

Yazarlar:

Vusala Jafarova | Aynur Jafarova | Asmer Abdullayeva | Musaver Musaev

Yayıncı:

Turkish Chemical Society

Ana Başlıklar:

Physical Chemistry (Other)

Dergi:

Journal of the Turkish Chemical Society Section A: Chemistry Vol.11 Issue 3, pp.1297-1302

Belge Tipi:

Makale

Yayın Tarihi:

8/2024

Belge Dili:

İngilizce

Document ID (Org No.):

2001317698

pISSN:

2149-0120