First-Principle Study for Influence of External Strain on Electronic Structure and Optical Properties of δ-SnSe |
| M. Luoa, H.H. Yinb
aDepartment of Physics, Shanghai Polytechnic University, Shanghai 201209, China bDepartment of Electronic Engineering, Shang Hai Jian Qiao University, Shanghai 201306, China |
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| Electronic and optical properties of δ-SnSe with different strains are investigated through first-principles calculations. It is shown that under a tensile strain, the band gap of δ-SnSe changes from indirect to direct, however its value remains the same. For comparison, when a compressive strain is applied, not only an indirect to direct transformation of the band gap is observed but also gradually reduction of its value to 1.26 eV. Further the density of electronic states is studied in these systems. The Sn p and Se p states at the bottom of the conduction band contribute to variations of the band structures. Moreover, the absorption strength in visible light has been enhanced due to the application of an external strain. These results show that the strained δ-SnSe might provide some potential applications in spintronic devices and optical fields. |
DOI:10.12693/APhysPolA.138.504 topics: SnSe strain, tunable gap, optical, DFT calculations |