期刊
VACUUM
卷 182, 期 -, 页码 -出版社
PERGAMON-ELSEVIER SCIENCE LTD
DOI: 10.1016/j.vacuum.2020.109597
关键词
DFT-1/2; ML h-ZnSe; Band gap; Magnetic moment; Vacancy defects
资金
- Department of Science and Technology SERB (CRG DST-SERB, New Delhi India) [CRG/2018/000009(Ver-1)]
- Research Center of Female Scientific and Medical College, King Saud University
In this work, we have investigated the electronic, magnetic and optical properties of hexagonal monolayer ZnSe compound via atomic vacancy defects by using DFT-1/2 approximation. Our calculations revealed that monolayer ZnSe is a direct band semiconductor with the transition along Gamma-Gamma symmetry. The measured value of electronic band gap is similar to 2.68 eV in very good agreement with the experimental results. The optical spectra of hexagonal ZnSe is measured along the x- and z-axis as a function of wave length (lambda). The absorption coefficient is highly anisotropic with majority of optical response lies along x-axis. The maximum absorption intensity is similar to 6.5 x 10(4)cm(-1) in violet-blue range of UV-Vis spectra. Our results of optical spectra comprehended the experimental results.
作者
我是这篇论文的作者
点击您的名字以认领此论文并将其添加到您的个人资料中。
推荐
暂无数据