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
相关论文
共 50 条
  • [1] NO adsorption studies on silicene nanosheet: DFT investigation
    Chandiramouli, R.
    Srivastava, Anurag
    Nagarajan, V.
    APPLIED SURFACE SCIENCE, 2015, 351 : 662 - 672
  • [2] Improving the electronic and optical properties of silicene by doping with transition metals - A DFT investigation
    Devi, P. Kalpana
    Singh, K. K.
    COMPUTATIONAL AND THEORETICAL CHEMISTRY, 2025, 1245
  • [3] The magnetic and transport properties of edge passivated silicene nanoribbon by Mn atoms
    Chen, Changpeng
    Zhu, Ziqing
    Zha, Dace
    Qi, Meilan
    Wu, Jinping
    CHEMICAL PHYSICS LETTERS, 2016, 646 : 148 - 152
  • [4] Multi switching behavior of hydrogen passivated silicene as molecular junction: A DFT-NEGF approach
    Sardroodi, Jaber Jahanbin
    Afshari, Sadegh
    Ebrahimzadeh, Alireza Rastkar
    Ghavami, Badie
    Notash, Mina Yaghoobi
    JOURNAL OF THEORETICAL & COMPUTATIONAL CHEMISTRY, 2014, 13 (06):
  • [5] Investigation of DFT on the structural and electronic properties of silicene nanoribbons when adsorption of Li, H, Fe
    Van On, Vo
    Hung, Nguyen Thanh
    Huyen, Dang Thi Khanh
    Trinh, Le Thi Phuong
    Phuong Thuan, Le Vo
    MATERIALS TODAY-PROCEEDINGS, 2022, 49 : 2414 - 2418
  • [6] DFT study of the electronic and vibrational properties of silicene/stanene heterobilayer
    Barhoumi, M.
    Lazaar, K.
    Said, M.
    PHYSICA E-LOW-DIMENSIONAL SYSTEMS & NANOSTRUCTURES, 2019, 111 : 127 - 129
  • [7] Investigation of Substitution of Cu and Se Atoms on the Electronic and Magnetic Properties of GaN Monolayer Nanosheet
    Bakhshayeshi, Ali
    Mendi, Rouhollah Taghavi
    Ghafoorian, Fatemeh
    JOURNAL OF SUPERCONDUCTIVITY AND NOVEL MAGNETISM, 2018, 31 (07) : 2255 - 2259
  • [8] Investigation of Substitution of Cu and Se Atoms on the Electronic and Magnetic Properties of GaN Monolayer Nanosheet
    Ali Bakhshayeshi
    Rouhollah Taghavi Mendi
    Fatemeh Ghafoorian
    Journal of Superconductivity and Novel Magnetism, 2018, 31 : 2255 - 2259
  • [9] Tuning the electronic and magnetic properties of hydrogen saturated zigzag silicene nanoribbon doped with B atoms chain
    Guo, Gang
    Xie, Zhongxiang
    Xu, Guobao
    FERROELECTRICS, 2021, 570 (01) : 77 - 87
  • [10] Magneto-electronic properties of graphene nanoribbons with various edge structures passivated by phosphorus and hydrogen atoms
    Yu, Z. L.
    Wang, D.
    Zhu, Z.
    Zhang, Z. H.
    PHYSICAL CHEMISTRY CHEMICAL PHYSICS, 2015, 17 (37) : 24020 - 24028
12345