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Strain Effects on Electronic and Optical Properties of Monolayer Mo-Dichalcogenides

EasyChair Preprint no. 3976

6 pagesDate: July 30, 2020


Using first-principles calculations, we investigate mechanical, electronic, and optical properties of monolayer MoX2 (X = S, Se, and Te) under biaxial tensile strain. The obtained results indicate that MoS2 shows the highest stiffness and ideal strength among MoX2. In unstrain cases, MoS2 is an indirect-gap semiconductor, while MoSe2 and MoTe2 are direct-gap semiconductors. The energy band-gaps of MoX2 decrease with the increasing of the biaxial tensile strain. Furthermore, the biaxial tensile strain effectively modulates the optical absorption of MoX2. Our calculated results provide useful information for applications in nano-electromechanical, optoelectronic, and photocatalytic devices based on MoX2.

Keyphrases: density functional theory, ideal strength, Optical absorption, transition metal dichalcogenides

BibTeX entry
BibTeX does not have the right entry for preprints. This is a hack for producing the correct reference:
  author = {Thanh Van Vuong and Thuy Dung Nguyen and Bach Le Xuan and Van Nguyen Duy and Loi Giap Van and Bao Hoang Van and Truong Do Wang and Hung Nguyen Tuan},
  title = {Strain Effects on Electronic and Optical Properties of Monolayer Mo-Dichalcogenides},
  howpublished = {EasyChair Preprint no. 3976},

  year = {EasyChair, 2020}}
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