Electronic and Magnetic Properties of 2D/3D MnB: An Ab-initio & Monte Carlo Study

İzzet Paruğ DURU

doi:https://doi.org/10.17350/HJSE19030000260

Makale detayları

Electronic and Magnetic Properties of 2D/3D MnB: An Ab-initio & Monte Carlo Study

Yazarlar:

İzzet Paruğ DURU

Yayıncı:

Hitit University

Ana Başlıklar:

Astronomi ve ilgili bilimler

Dergi:

Hittite Journal of Science and Engineering 2022 Vol.9 Issue 2, pp.103-110

Belge Tipi:

Makale

Yayın Tarihi:

6/2022

Belge Dili:

İngilizce

Document ID (Org No.):

2000451154

Sıklık:

Üç Aylık

eISSN:

2148-4171

DOI:

https://doi.org/10.17350/HJSE19030000260

Özet:

 

Defect-induced magnetic phases of 2D and 3D MnB were discussed. The exciting ferromagnetic behavior of MnB MBene is particularly tracked, including high-rated Mn defects via ab-initio calculations and Monte Carlo simulations. Ground state solution was achieved through GGA in PBESol scheme resulting in magnetic state and moments of Mn ions including the density of states around Fermi level. Magnetic susceptibility and magnetization behavior related to temperature was obtained through Monte Carlo simulations based on the Heisenberg model applying Metropolis criteria. The authors focused on controlling the Curie temperature considering the location of Mn defects. The coexistence of the various defect locations opened a realistic window to estimate Curie temperature consistent with experimental values. Exchange energies of 2D MnB different defect locations quite differ from each other. In addition, magnetic moments of the sheet material were found to be higher than 3D bulk MnB.

Makale detayları

Electronic and Magnetic Properties of 2D/3D MnB: An Ab-initio & Monte Carlo Study

Yazarlar: İzzet Paruğ DURU

Yayıncı: Hitit University

Ana Başlıklar: Astronomi ve ilgili bilimler

Dergi: Hittite Journal of Science and Engineering 2022 Vol.9 Issue 2, pp.103-110

Belge Tipi: Makale

Yayın Tarihi: 6/2022

Belge Dili: İngilizce

Document ID (Org No.): 2000451154

Sıklık: Üç Aylık

eISSN: 2148-4171

DOI: https://doi.org/10.17350/HJSE19030000260

Sayı

Yazarlar:

İzzet Paruğ DURU

Yayıncı:

Hitit University

Ana Başlıklar:

Astronomi ve ilgili bilimler

Dergi:

Hittite Journal of Science and Engineering 2022 Vol.9 Issue 2, pp.103-110

Belge Tipi:

Makale

Yayın Tarihi:

6/2022

Belge Dili:

İngilizce

Document ID (Org No.):

2000451154

Sıklık:

Üç Aylık

eISSN:

2148-4171

DOI:

https://doi.org/10.17350/HJSE19030000260