Coupled systems mechanics

  • 제5권4호
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  • Pages.305-314
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  • 2016
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  • 2234-2184(pISSN)
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  • 2234-2192(eISSN)
테크노프레스 (Techno-Press)
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DOI QR코드

DOI QR Code

The effect of strain on the electronic properties of MoS2 monolayers

  • Park, Soon-Dong (School of Materials Science and Engineering, Ulsan National Institute of Science and Technology) ;
  • Kim, Sung Youb (Department of Mechanical Engineering, Ulsan National Institute of Science and Technology)
  • 투고 : 2015.04.03
  • 심사 : 2015.11.04
  • 발행 : 2016.12.25
⟨ 이전 논문 다음 논문 ⟩

초록

We utilize first-principles calculations within density-functional theory to investigate the possibility of strain engineering in the tuning of the band structure of two-dimensional $MoS_2$. We find that the band structure of $MoS_2$ monolayers transits from direct to indirect when mechanical strain is applied. In addition, we discuss the change in the band gap energy and the critical stains for the direct-to-indirect transition under various strains such as uniaxial, biaxial, and pure shear. Biaxial strain causes a larger change, and the pure shear stain causes a small change in the electronic band structure of the $MoS_2$ monolayer. We observe that the change in the interaction between molecular orbitals due to the mechanical strain alters the band gap type and energy.

키워드

과제정보

연구 과제 주관 기관 : National Research Foundation (NRF)

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