Defect mediated electronic properties and robust magnetism of two dimensional ε-Mn2O3
2D-Mn2O3 is a newly exfoliated two dimensional (2D) analog of bulk manganese (III) oxide which is an intrinsic ferromagnetic material in its pristine form. The detailed structural, electronic and magnetic properties analyses have been carried out using density functional theory (DFT) approach. The c...
Saved in:
| Main Authors: | , , , , , |
|---|---|
| Format: | Article |
| Language: | English |
| Published: |
Elsevier
2025-04-01
|
| Series: | Next Materials |
| Subjects: | |
| Online Access: | http://www.sciencedirect.com/science/article/pii/S2949822825001571 |
| Tags: |
Add Tag
No Tags, Be the first to tag this record!
|
| _version_ | 1850178134014427136 |
|---|---|
| author | Pankaj Kumar Renu Singla Rahul Singla Sarvesh Kumar Hardev S. Saini Manish K. Kashyap |
| author_facet | Pankaj Kumar Renu Singla Rahul Singla Sarvesh Kumar Hardev S. Saini Manish K. Kashyap |
| author_sort | Pankaj Kumar |
| collection | DOAJ |
| description | 2D-Mn2O3 is a newly exfoliated two dimensional (2D) analog of bulk manganese (III) oxide which is an intrinsic ferromagnetic material in its pristine form. The detailed structural, electronic and magnetic properties analyses have been carried out using density functional theory (DFT) approach. The calculated results indicate that it is ferromagnetic in pristine form and turns out to be a magnetic semiconductor with a large band gap of 0.98/3.6 eV in the majority/minority spin channel. The presence of a large band gap highly restricts its worth in spintronics and magnetic devices. In addition, Curie Temperature (TC) comes out to be 77 K. Thus to modify its band gap, the efforts have been made to introduce defects in it by removing Mn and O atoms, respectively. The reported results show that the band gap of resulting material after introducing O- vacancy defect gets reduced in both the spin channels to a great extent (0.40/3.31 eV in the majority/minority spin channel). However, with this vacancy defect, the spin magnetic moment gets increased slightly from 4 µB to 4.06 µB per Mn atom which confirms the robustness of spin magnetic moment of Mn atom. These findings show that the resulting 2D-Mn2O3 under study has numerous potential applications in spintronics and memory-based applications. |
| format | Article |
| id | doaj-art-ce5bdb8865764b5191a796e1be4f0a9b |
| institution | OA Journals |
| issn | 2949-8228 |
| language | English |
| publishDate | 2025-04-01 |
| publisher | Elsevier |
| record_format | Article |
| series | Next Materials |
| spelling | doaj-art-ce5bdb8865764b5191a796e1be4f0a9b2025-08-20T02:18:48ZengElsevierNext Materials2949-82282025-04-01710063910.1016/j.nxmate.2025.100639Defect mediated electronic properties and robust magnetism of two dimensional ε-Mn2O3Pankaj Kumar0Renu Singla1Rahul Singla2Sarvesh Kumar3Hardev S. Saini4Manish K. Kashyap5Department of Physics, Guru Jambheshwar University of Science & Technology, Hisar, Haryana 125001, IndiaDepartment of Physics, Daulat Ram College, University of Delhi, Delhi 110007, IndiaDepartment of Physics, Panjab University, Chandigarh 160014, IndiaInter-University Accelerator Centre, Aruna Asaf Ali Marg, New Delhi 110067, IndiaDepartment of Physics, Guru Jambheshwar University of Science & Technology, Hisar, Haryana 125001, India; Corresponding authors.Renewable Energy Laboratory, School of Physical Sciences, Jawaharlal Nehru University, New Delhi 110067, India; Corresponding authors.2D-Mn2O3 is a newly exfoliated two dimensional (2D) analog of bulk manganese (III) oxide which is an intrinsic ferromagnetic material in its pristine form. The detailed structural, electronic and magnetic properties analyses have been carried out using density functional theory (DFT) approach. The calculated results indicate that it is ferromagnetic in pristine form and turns out to be a magnetic semiconductor with a large band gap of 0.98/3.6 eV in the majority/minority spin channel. The presence of a large band gap highly restricts its worth in spintronics and magnetic devices. In addition, Curie Temperature (TC) comes out to be 77 K. Thus to modify its band gap, the efforts have been made to introduce defects in it by removing Mn and O atoms, respectively. The reported results show that the band gap of resulting material after introducing O- vacancy defect gets reduced in both the spin channels to a great extent (0.40/3.31 eV in the majority/minority spin channel). However, with this vacancy defect, the spin magnetic moment gets increased slightly from 4 µB to 4.06 µB per Mn atom which confirms the robustness of spin magnetic moment of Mn atom. These findings show that the resulting 2D-Mn2O3 under study has numerous potential applications in spintronics and memory-based applications.http://www.sciencedirect.com/science/article/pii/S2949822825001571DFT2D-Mn2O3DefectsSpintronics and Memory-based applications |
| spellingShingle | Pankaj Kumar Renu Singla Rahul Singla Sarvesh Kumar Hardev S. Saini Manish K. Kashyap Defect mediated electronic properties and robust magnetism of two dimensional ε-Mn2O3 Next Materials DFT 2D-Mn2O3 Defects Spintronics and Memory-based applications |
| title | Defect mediated electronic properties and robust magnetism of two dimensional ε-Mn2O3 |
| title_full | Defect mediated electronic properties and robust magnetism of two dimensional ε-Mn2O3 |
| title_fullStr | Defect mediated electronic properties and robust magnetism of two dimensional ε-Mn2O3 |
| title_full_unstemmed | Defect mediated electronic properties and robust magnetism of two dimensional ε-Mn2O3 |
| title_short | Defect mediated electronic properties and robust magnetism of two dimensional ε-Mn2O3 |
| title_sort | defect mediated electronic properties and robust magnetism of two dimensional ε mn2o3 |
| topic | DFT 2D-Mn2O3 Defects Spintronics and Memory-based applications |
| url | http://www.sciencedirect.com/science/article/pii/S2949822825001571 |
| work_keys_str_mv | AT pankajkumar defectmediatedelectronicpropertiesandrobustmagnetismoftwodimensionalemn2o3 AT renusingla defectmediatedelectronicpropertiesandrobustmagnetismoftwodimensionalemn2o3 AT rahulsingla defectmediatedelectronicpropertiesandrobustmagnetismoftwodimensionalemn2o3 AT sarveshkumar defectmediatedelectronicpropertiesandrobustmagnetismoftwodimensionalemn2o3 AT hardevssaini defectmediatedelectronicpropertiesandrobustmagnetismoftwodimensionalemn2o3 AT manishkkashyap defectmediatedelectronicpropertiesandrobustmagnetismoftwodimensionalemn2o3 |