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Optical properties of monolayer and multilayer 1T' WTe2 calculated by density functional theory

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https://zenodo.org/record/6875278
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资源简介:
We investigate the optical properties of monolayer, bilayer, trilayer, and quadrilayer WTe2 in the 1T' crystal phase by ab-initio calculations based on spin-polarized density functional theory (DFT). We used the Vasp package to calculate the real and imaginary part of the dielectric function, the real and imaginary part of the refractive index, as well as the optical absorbance from 0 eV to 5 eV and for different crystal directions.
创建时间:
2024-07-16
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