دورية أكاديمية
Decisive Role of the Defect-Clustering Effect in the Variation of Magnetic Order in Diluted Magnetic Binary Metal Oxides
| العنوان: | Decisive Role of the Defect-Clustering Effect in the Variation of Magnetic Order in Diluted Magnetic Binary Metal Oxides |
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| المؤلفون: | Syed Ul Hasnain Bakhtiar, Pu Ai, Wen Dong, Qi Ma, Junlei Zhao, Guanqun Shi, Fengjun Yan, Ling Miao, Guangzu Zhang, Shenglin Jiang, Wei Luo, Mengyuan Hua, Qiuyun Fu |
| سنة النشر: | 2023 |
| مصطلحات موضوعية: | Medicine, Evolutionary Biology, Science Policy, Biological Sciences not elsewhere classified, Physical Sciences not elsewhere classified, density functional theory, based investigations show, doped tetragonal mo, diluted magnetic semiconductors, co – co, defect clustering effect, 2 , clustering effect, show antiferromagnetic, magnetic order, “ defect, room temperature, opposite trend, one octahedra, mainly decided, magnetization instead, fabrication method, dopant type, diluted fm, defect chemistry, decisive role, becoming viable, atomic level, >< sub |
| الوصف: | Above room temperature T c , magnetism is becoming viable in diluted magnetic semiconductors, which show different magnetic orders, depending on the dopant type and their fabrication method. However, how the defects can influence the magnetic properties remains unclear at the atomic level. In this article, by taking the Co-doped tetragonal MO 2 (t-MO 2 , M = Ti, Sn, Hf, and Zr) as an example, the density functional theory-based investigations show that the magnetic order is mainly decided by the defect clustering effect, following a “defect-distance-based” defect correlation principle. It is found that the distance between two defects (Co–Co) leads to an alteration of magnetic order, where SnO 2 and ZrO 2 show antiferromagnetic (AFM) behavior when the nearest Co–Co distance lies within one octahedron, while a larger distance gives rise to the ferromagnetic (FM) state. In contrast, TiO 2 exhibits an AFM state at the neighboring Co–Co configuration with the nearest Co–Co distance larger than one octahedra, while HfO 2 showed an opposite trend as that of TiO 2 . Furthermore, the position of oxygen vacancies mainly affects the magnitude of magnetization instead of magnetic order. We believe this work would significantly advances the understanding of defect chemistry and condensed matter physics related to diluted FM-AFM systems. |
| نوع الوثيقة: | article in journal/newspaper |
| اللغة: | unknown |
| العلاقة: | https://figshare.com/articles/journal_contribution/Decisive_Role_of_the_Defect-Clustering_Effect_in_the_Variation_of_Magnetic_Order_in_Diluted_Magnetic_Binary_Metal_Oxides/24582546Test |
| DOI: | 10.1021/acs.jpcc.3c06278.s001 |
| الإتاحة: | https://doi.org/10.1021/acs.jpcc.3c06278.s001Test https://figshare.com/articles/journal_contribution/Decisive_Role_of_the_Defect-Clustering_Effect_in_the_Variation_of_Magnetic_Order_in_Diluted_Magnetic_Binary_Metal_Oxides/24582546Test |
| حقوق: | CC BY-NC 4.0 |
| رقم الانضمام: | edsbas.3DFA35D7 |
| قاعدة البيانات: | BASE |
| DOI: | 10.1021/acs.jpcc.3c06278.s001 |
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