居里温度
铁磁性
磁性
单层
材料科学
库仑
物理
结晶学
凝聚态物理
纳米技术
化学
量子力学
电子
作者
Jeonghoon Hong,Chang‐Jong Kang,Jeongwoo Kim
出处
期刊:Physical review
[American Physical Society]
日期:2022-11-28
卷期号:106 (19)
被引量:10
标识
DOI:10.1103/physrevb.106.195428
摘要
The electronic structure of a two-dimensional ferromagnetic $\mathrm{Mn}{\mathrm{Se}}_{2}$ monolayer was investigated using density functional theory. It was found that the computed Curie temperature (${T}_{\mathrm{C}}$), which is fairly high but lower than room temperature, is sensitive to the on-site Coulomb repulsion $U$, indicating that electronic correlations have an important role in the magnetism exhibited in the system. The primary exchange mechanism responsible for the large ${T}_{\mathrm{C}}$ of monolayer $\mathrm{Mn}{\mathrm{Se}}_{2}$ was also clarified. Furthermore, it was demonstrated that the ${T}_{\mathrm{C}}$ can be enhanced up to nearly room temperature through charge doping and heterostructure engineering. These findings not only provide a fundamental understanding of the mechanism of magnetic ordering in $\mathrm{Mn}{\mathrm{Se}}_{2}$ monolayers, but also suggest a practical remedy for the enhancement of the ${T}_{\mathrm{C}}$ of $\mathrm{Mn}{\mathrm{Se}}_{2}$ by using various substrates, including Dirac materials.
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