دورية أكاديمية
High Concentration Intrinsic Defects in MnSb2Te4
| العنوان: | High Concentration Intrinsic Defects in MnSb2Te4 |
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| المؤلفون: | Jie Xiong, Yin-Hui Peng, Jia-Yi Lin, Yu-Jie Cen, Xiao-Bao Yang, Yu-Jun Zhao |
| المصدر: | Materials, Vol 16, Iss 15, p 5496 (2023) |
| بيانات النشر: | MDPI AG, 2023. |
| سنة النشر: | 2023 |
| المجموعة: | LCC:Technology LCC:Electrical engineering. Electronics. Nuclear engineering LCC:Engineering (General). Civil engineering (General) LCC:Microscopy LCC:Descriptive and experimental mechanics |
| مصطلحات موضوعية: | first-principles calculation, van der Waals material, MnSb2Te4, intrinsic defect, magnetic phase transition, Technology, Electrical engineering. Electronics. Nuclear engineering, TK1-9971, Engineering (General). Civil engineering (General), TA1-2040, Microscopy, QH201-278.5, Descriptive and experimental mechanics, QC120-168.85 |
| الوصف: | MnSb2Te4 has a similar structure to an emerging material, MnBi2Te4. According to earlier theoretical studies, the formation energy of Mn antisite defects in MnSb2Te4 is negative, suggesting its inherent instability. This is clearly in contrast to the successful synthesis of experimental samples of MnSb2Te4. Here, the growth environment of MnSb2Te4 and the intrinsic defects are correspondingly investigated. We find that the Mn antisite defect is the most stable defect in the system, and a Mn-rich growth environment favors its formation. The thermodynamic equilibrium concentrations of the Mn antisite defects could be as high as 15% under Mn-poor conditions and 31% under Mn-rich conditions. It is also found that Mn antisite defects prefer a uniform distribution. In addition, the Mn antisite defects can modulate the interlayer magnetic coupling in MnSb2Te4, leading to a transition from the ideal antiferromagnetic ground state to a ferromagnetic state. The ferromagnetic coupling effect can be further enhanced by controlling the defect concentration. |
| نوع الوثيقة: | article |
| وصف الملف: | electronic resource |
| اللغة: | English |
| تدمد: | 1996-1944 |
| Relation: | https://www.mdpi.com/1996-1944/16/15/5496; https://doaj.org/toc/1996-1944 |
| DOI: | 10.3390/ma16155496 |
| URL الوصول: | https://doaj.org/article/77abc574d0d64fbd9e3cf3ab036f0690 |
| رقم الأكسشن: | edsdoj.77abc574d0d64fbd9e3cf3ab036f0690 |
| قاعدة البيانات: | Directory of Open Access Journals |
Full Text Finder | تدمد: | 19961944 |
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| DOI: | 10.3390/ma16155496 |