Density-functional calculations of the formation and electronic properties of bilayer silicene and hydrogenated bilayer silicene are present. The structure optimization and phonon calculations are carried out to demonstrate that bilayer silicene has stable structure with AB stacking and preserves the linear energy dispersions near the K and K′ points in the hexagonal Brillouin zone, and our results agree well with the previous calculations. Based on the symmetry of bilayer silicene, we study the stability of four hydrogenated bilayer silicene by the phonon-mode analysis. The configurations of semihydrogenated one-layer and semihydrogenated double-layer are confirmed as dynamically stable with no imaginary phonon frequencies. The case of semihydrogenated one-layer shows ferromagnetic ground state due to the unpaired 3p electrons, while that of semihydrogenated double-layer is predicted to be a indirect band gap semiconductor with nonmagnetic ground state.
Skip Nav Destination
Article navigation
14 July 2014
Research Article|
July 09 2014
The formation and electronic properties of hydrogenated bilayer silicene from first-principles
Wang Rui;
Wang Rui
a)
1
Institute for Structure and Function and Department of Physics, Chongqing University
, Chongqing 400044, China
2State Key Laboratory of Theoretical Physics,
Institute of Theoretical Physics
, Chinese Academy of Science, Beijing 100190, China
Search for other works by this author on:
Wang Shaofeng;
Wang Shaofeng
1
Institute for Structure and Function and Department of Physics, Chongqing University
, Chongqing 400044, China
Search for other works by this author on:
Wu Xiaozhi
Wu Xiaozhi
1
Institute for Structure and Function and Department of Physics, Chongqing University
, Chongqing 400044, China
Search for other works by this author on:
a)
Email: [email protected].
J. Appl. Phys. 116, 024303 (2014)
Article history
Received:
March 18 2014
Accepted:
June 25 2014
Citation
Wang Rui, Wang Shaofeng, Wu Xiaozhi; The formation and electronic properties of hydrogenated bilayer silicene from first-principles. J. Appl. Phys. 14 July 2014; 116 (2): 024303. https://doi.org/10.1063/1.4887353
Download citation file:
Pay-Per-View Access
$40.00
Sign In
You could not be signed in. Please check your credentials and make sure you have an active account and try again.
Citing articles via
A step-by-step guide to perform x-ray photoelectron spectroscopy
Grzegorz Greczynski, Lars Hultman
Piezoelectric thin films and their applications in MEMS: A review
Jinpeng Liu, Hua Tan, et al.
Tutorial: Simulating modern magnetic material systems in mumax3
Jonas J. Joos, Pedram Bassirian, et al.
Related Content
Ferromagnetic and antiferromagnetic properties of the semihydrogenated SiC sheet
Appl. Phys. Lett. (April 2010)
How to fabricate a semihydrogenated graphene sheet? A promising strategy explored
Appl. Phys. Lett. (August 2012)
Strain tunable electronic and magnetic properties of pristine and semihydrogenated hexagonal boron phosphide
Appl. Phys. Lett. (January 2015)
Gapless insulator and a band gap scaling law in semihydrogenated graphene
Appl. Phys. Lett. (July 2010)
Exotic d magnetism in partial hydrogenated silicene
Appl. Phys. Lett. (May 2016)