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

Name: Optical properties of monolayer and multilayer 1T' WTe2 calculated by density functional theory
Creator: Walter Schottky Institut and Physics Department, Technical University of Munich, Am Coulombwall 4a, 85748 Garching, Germany; Ilkay Ozdemir; Electrical and Electronic Engineering Department, Adnan Menderes University, 09100 Aydin, Turkey
Published: 2022-07-21T00:00:00+08:00

Zenodo2022-07-21 更新2026-04-07 收录

二维材料光学模拟

密度泛函理论计算

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资源简介：

We investigate the optical properties of monolayer, bilayer, trilayer, and quadrilayer WTe<sub>2</sub> 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.

提供机构：

Walter Schottky Institut and Physics Department, Technical University of Munich, Am Coulombwall 4a, 85748 Garching, Germany; Ilkay Ozdemir; Electrical and Electronic Engineering Department, Adnan Menderes University, 09100 Aydin, Turkey

创建时间：

2022-07-21