期刊
CURRENT APPLIED PHYSICS
卷 17, 期 12, 页码 1589-1600出版社
ELSEVIER
DOI: 10.1016/j.cap.2017.08.022
关键词
Density functional theory; Germanene; Doping and vacancy; Optical properties
资金
- DST-FIST
- DST, Govt. of India [ND-IF150670]
- DST-PURSE, Government of India through INSPIRE
Ab initio calculations of electronic, magnetic and optical properties of defected (beryllium (Be) doped or void induced) buckled free standing (FS) germanene have been explored. Concentrations of doping as well as vacancy (keeping a fixed low amount of Be) are increased thoroughly, in order to study the modifications of different physical properties critically. Our study reveals that, incorporation of doping and void destroy Dirac cone in band structure of germanene. Finite bandgap for the requirement of field effect transistor (FET) applications is obtained in case of semiconducting configuration with 15.62% doping concentration. Magnetism is also induced for doping of Be with high concentration only, which is supported from projected density of states (PDOS) and charge density analysis. Anisotropic effects are prominent in optical properties like dielectric functions, absorption spectra, reflectivity and its modulation and conductivity. Static real part of dielectric constant increases linearly with increase in doping concentration but decreases with increase in vacancy concentration considering parallel polarization of electro-magnetic (EM) wave. Predicted computational results of plasma frequencies are in well agreement with expected analytical data. Peak corresponding to maximum intensity of electron energy loss spectra (EELS) appears at the position of plasma frequency in case of every structure. We expect, this study may help for better understanding of next generation germanene based nano-technology. (C) 2017 Elsevier B.V. All rights reserved.
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