Variation of the electronic properties of the silicene nanosheet passivated by hydrogen atoms: A DFT investigation

被引：2
|
作者：
Alavi-Rad, Hosein [1 ]
Kiani-Sarkaleh, Azadeh [1 ]
Rouhi, Saeed [2 ]
Ghadimi, Abbas [3 ]
机构：
[1] Islamic Azad Univ, Dept Elect Engn, Rasht Branch, Rasht, Iran
[2] Islamic Azad Univ, Dept Mech Engn, Langroud Branch, Langroud, Iran
[3] Islamic Azad Univ, Dept Elect Engn, Lahijan Branch, Lahijian, Iran
来源：
AIMS MATERIALS SCIENCE | 2019年 / 6卷 / 06期
关键词：
density functional theory (DFT); silicene; hydrogenation; electronic properties; GRAPHENE; 1ST-PRINCIPLES; GAS; NANOSTRUCTURES; TRANSPORT; MOLECULES; ORDER;
D O I：
10.3934/matersci.2019.6.1010
中图分类号：
T [工业技术];
学科分类号：
08 ;
摘要：
Using the first-principles calculations, the electronic properties of hydrogenated silicene (H-silicene) has been investigated. The influence of the hydrogenation on the bandgap and I-V characteristics of the silicene is evaluated. It is shown that the H-silicene has an indirect band gap, with the value of 2.33 eV while silicene nanosheet represents a semi-metallic behavior with a zero band gap and Dirac cone at the Fermi level. Some unique properties of H-silicene is observed which make it ideal for variety of applications in designing spintronic devices, optoelectronics devices, transparent conducting electrodes, and integrated circuits.
引用
收藏
页码：1010 / 1019
页数：10
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