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Phase-Dependent Functionality and Defect-Induced Magnetism in Monolayer SnTe Polymorphs
Roya Kavkhani1, Berna Akgenc Hanedar2, Mehmet Cengiz Onbaşlı1,3,4
1Graduate School of Sciences and Engineering (GSSE), Koç University, Rumelifeneri Yolu, Sarıyer, Istanbul 34450, Türkiye.
Monolayer tin telluride (SnTe) properties are tunable via crystal phase and defects. Cubic SnTe shows high hole mobility, while doping enables selective electronic and magnetic behaviors for optoelectronic applications.
Area of Science:
- Materials Science
- Condensed Matter Physics
- Solid-State Chemistry
Background:
- Monolayer tin telluride (SnTe) presents tunable electronic and magnetic properties.
- Control is achieved through crystal phase and local defect chemistry.
Purpose of the Study:
- Investigate how crystal phase and defects influence SnTe monolayer properties.
- Identify promising configurations for functional materials design.
Main Methods:
- First-principles calculations were employed.
- Studied four SnTe polymorphs, including defect engineering via doping and vacancies.
Main Results:
- Cubic and γ-SnTe are the most stable phases.
- Distinct electronic and transport regimes were observed across phases (e.g., high hole mobility in cubic SnTe).
- Defect engineering in cubic SnTe leads to metallicity, while γ-SnTe allows for tunable semiconducting behavior. Mn doping in γ-SnTe creates a magnetic semiconducting state.
Conclusions:
- Phase selection dictates intrinsic band gap and transport properties of monolayer SnTe.
- Defect engineering offers additional control over metallicity, magnetism, and carrier polarity.
- Monolayer SnTe is a versatile platform for infrared optoelectronics and spintronic applications.
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