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First-Principles Study of Strain Engineering Regulation of SnSe Thermoelectric Properties.
Haoru Zhang1, Songqing Zhao1,2, Yuhong Xia1
1College of Science, China University of Petroleum, Beijing 102249, China.
Materials (Basel, Switzerland)
|September 13, 2025
Summary
Strain engineering significantly boosts thermoelectric properties in tin selenide (SnSe). Compressive strain enhances p-type SnSe, while tensile strain dramatically improves n-type SnSe, showing great potential for thermoelectric applications.
Area of Science:
- Materials Science
- Condensed Matter Physics
- Solid State Chemistry
Background:
- Tin selenide (SnSe) is a promising material for thermoelectric applications.
- Strain engineering offers a pathway to tune material properties.
Purpose of the Study:
- To investigate the impact of strain engineering on the thermoelectric properties of SnSe.
- To explore the effects of compressive and tensile strain on both p-type and n-type SnSe.
Main Methods:
- First-principles calculations were employed to model SnSe.
- Boltzmann transport theory was used to analyze thermoelectric properties under varying strain levels (-4% to 4%).
Main Results:
- Compressive strain improved the maximum power factor (PFmax) of p-type SnSe and increased its thermoelectric figure of merit (ZT) by 50%.
- Tensile strain enhanced the PFmax of n-type SnSe by 26% and more than doubled its ZT value (123% increase).
- Tensile strain reduced lattice thermal conductivity via enhanced phonon scattering, synergistically boosting ZT.
Conclusions:
- Strain engineering is an effective method to enhance the thermoelectric performance of SnSe.
- N-type SnSe exhibits substantial potential for thermoelectric applications due to strain-induced improvements.
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