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Optical characteristic study of monolayer VS2 based on first-principles calculations

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Abstract Monolayer VS2 has two common stable phases, 2H-phase and 1T-phase. Based on first-principles calculations, we studied the optical properties of 2D-VS2, including their dielectric functions, absorption coefficients, refraction indexes… Click to show full abstract

Abstract Monolayer VS2 has two common stable phases, 2H-phase and 1T-phase. Based on first-principles calculations, we studied the optical properties of 2D-VS2, including their dielectric functions, absorption coefficients, refraction indexes and energy loss functions. Also, we fully analyzed the relationship between the electronic structure and the optical characteristics of 2D-VS2. We found that the differences of density of states are the fundamental reasons for the differences of the two phase optical absorption behavior.

Keywords: principles calculations; based first; first principles; monolayer vs2

Journal Title: Solid State Communications
Year Published: 2017

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