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Ferromagnetism in MnX2 (X = S, Se) monolayers.
Min Kan1, Subash Adhikari, Qiang Sun
1Department of Materials Science and Engineering, Peking University, Beijing 100871, China. sunqiang@pku.edu.cn.
Physical Chemistry Chemical Physics : PCCP
|January 31, 2014
Summary
Two-dimensional (2D) manganese disulfide (MnS2) and manganese selenide (MnSe2) exhibit ideal magnetic semiconductor properties. Applying tensile strain enhances their magnetic ordering and Curie temperatures for potential spintronic applications.
Area of Science:
- Materials Science
- Condensed Matter Physics
- Solid-State Chemistry
Background:
- Two-dimensional (2D) materials offer unique electronic and magnetic properties.
- Exploring novel 2D magnetic semiconductors is crucial for advanced electronic devices.
- Manganese-based dichalcogenides present potential for magnetic applications.
Purpose of the Study:
- Investigate the magnetic properties of 2D MnS2 and MnSe2.
- Determine their potential as magnetic semiconductors.
- Evaluate the effect of strain on their magnetic ordering and Curie temperatures.
Main Methods:
- Utilized density functional theory (DFT) for electronic structure calculations.
- Employed Monte Carlo (MC) simulations to model magnetic ordering.
- Calculated magnetic moments and Curie temperatures (TC).
Main Results:
- Identified 2D MnS2 and MnSe2 as ideal magnetic semiconductors.
- Observed long-range ferromagnetic ordering with high magnetic moments (3 μB/unit cell).
- Estimated Curie temperatures of 225 K for MnS2 and 250 K for MnSe2.
- Demonstrated strain-tunable TC: 330 K (MnS2) and 375 K (MnSe2) with 5% biaxial tensile strain.
Conclusions:
- 2D MnS2 and MnSe2 are promising materials for spintronic applications.
- Ferromagnetic coupling and high magnetic moments are inherent properties.
- Tensile strain offers a viable method to enhance their magnetic performance.
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