NDLI: First Principles Calculations of Electric Field Effect on the (6,0) Zigzag Single-Walled Silicon Carbide Nanotube for use in Nano-Electronic Circuits

Content Provider	Springer Nature Link
Author	Peyghan, Ali Ahmadi Baei, Mohammad T. Hashemian, Saeedeh Torabi, Parviz
Copyright Year	2012
Abstract	Structural, electronic, and electrical responses of the H-capped (6,0) zigzag single-walled silicon carbide nanotube (SiCNT) was studied under the parallel and transverse electric fields with strengths 0–140 × 10$^{−4}$ a.u. by using density functional calculations. Analysis of the structural parameters indicates that resistance of the nanotube against the applied parallel electric field is more than resistance of the nanotube against the applied transverse electric field. The dipole moments, atomic charge variations, and total energy of the (6,0) zigzag SiCNT show increases with any increase in the applied external electric field strengths. The length, tip diameters, electronic spatial extent, and molecular volume of the nanotube do not change significantly with any increasing in the electric field strength. The energy gap of the nanotube increases with any increases in the electric field strength and its reactivity is decreased. Increase of the ionization potential, electron affinity, chemical potential, and HOMO and LOMO in the nanotube with increase of the applied external electric field strengths indicates that the properties of SiCNTs can be controlled by the proper external electric field for use in nano-electronic circuits.
Starting Page	591
Ending Page	604
Page Count	14
File Format	PDF
ISSN	10407278
Journal	Journal of Cluster Science
Volume Number	24
Issue Number	3
e-ISSN	15728862
Language	English
Publisher	Springer US
Publisher Date	2012-11-21
Publisher Place	Boston
Access Restriction	One Nation One Subscription (ONOS)
Subject Keyword	Nano-device External electric field effect Silicon carbide nanotube Dipole moment Catalysis Inorganic Chemistry Physical Chemistry
Content Type	Text
Resource Type	Article
Subject	Chemistry Biochemistry Condensed Matter Physics Materials Science

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