Published July 21, 2022
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Optical properties of monolayer and multilayer 1T' WTe2 calculated by density functional theory
- 1. Physics Department, Adnan Menderes University, Aydin 09100, Turkey
- 2. Walter Schottky Institut and Physics Department, Technical University of Munich, Am Coulombwall 4a, 85748 Garching, Germany
- 3. Electrical and Electronic Engineering Department, Adnan Menderes University, 09100 Aydin, Turkey
Description
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.
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wte2-optical-parameters.pdf
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- Is published in
- Journal article: 10.1038/s41598-022-16899-5 (DOI)