Planned intervention: On Wednesday April 3rd 05:30 UTC Zenodo will be unavailable for up to 2-10 minutes to perform a storage cluster upgrade.
Published July 21, 2022 | Version v1
Dataset Open

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.

Notes

The calculations are published in the following manuscript "Tuning electronic and conductivity features of Multilayer WTe2 using point defects", doi 10.1038/s41598-022-16899-5.

Files

wte2-optical-parameters.pdf

Files (3.0 MB)

Name Size Download all
md5:75a7c1a6f6a30e8902319f679e079473
304.3 kB Download
md5:1d23bf39aef9ac528b569dcdd7d8f5b0
379.4 kB Download
md5:289d581ee19abe4b4248d545ac1c38ab
284.4 kB Download
md5:396aff16ec91a3efe66724e2f7c7b0dd
536.7 kB Download
md5:7e7844358a864d8f591e926a1c3defcc
306.5 kB Download
md5:86db1d1f9b8ca69ace89672b0c500a06
1.2 MB Preview Download

Additional details

Related works

Is published in
Journal article: 10.1038/s41598-022-16899-5 (DOI)