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Title: Effect of an electric field on the properties of BN Möbius stripes

Abstract

In the present work, we present a first-principles study on the effects of an external electric field on the structural stability and electronic properties of boron nitride Möbius stripes with armchair and zigzag chirality. The calculation results indicate that the gap energy can be remarkably reduced by the application of an external field. Such reduction is in principle attributed to the occurrence of Stark effect, which significance depends on the orientation of the applied field relative to the stripe axis. Moreover, the electric field produces significant changes on dipole momentum of the structure and induces a negative shift on the calculated total energy, reducing the obtained formation energy. - Highlights: • The gap energy is remarkably reduced by the application of an external field. • The electric field produces significant changes on dipole momentum. • The field induces a negative shift on the total energy due to Stark effect.

Authors:
 [1];  [1];  [2]
  1. Departamento de Física, CCEN, Universidade Federal da Paraíba, Caixa Postal 5008, 58051-900 João Pessoa, PB (Brazil)
  2. Instituto Federal da Bahia, Campus Vitória da Conquista, Av. Amazonas 3150, 45075-265 Vitória da conquista, BA (Brazil)
Publication Date:
OSTI Identifier:
22443394
Resource Type:
Journal Article
Journal Name:
Journal of Solid State Chemistry
Additional Journal Information:
Journal Volume: 217; Other Information: Copyright (c) 2014 Elsevier Science B.V., Amsterdam, The Netherlands, All rights reserved.; Country of input: International Atomic Energy Agency (IAEA); Journal ID: ISSN 0022-4596
Country of Publication:
United States
Language:
English
Subject:
37 INORGANIC, ORGANIC, PHYSICAL AND ANALYTICAL CHEMISTRY; 77 NANOSCIENCE AND NANOTECHNOLOGY; BORON NITRIDES; CHIRALITY; ELECTRIC FIELDS; FORMATION HEAT; NANOSTRUCTURES; STABILITY; STARK EFFECT

Citation Formats

Lemos de Melo, J., Azevedo, S., E-mail: sazevedo@fisica.ufpb.br, and Kaschny, J.R. Effect of an electric field on the properties of BN Möbius stripes. United States: N. p., 2014. Web. doi:10.1016/J.JSSC.2014.05.024.
Lemos de Melo, J., Azevedo, S., E-mail: sazevedo@fisica.ufpb.br, & Kaschny, J.R. Effect of an electric field on the properties of BN Möbius stripes. United States. doi:10.1016/J.JSSC.2014.05.024.
Lemos de Melo, J., Azevedo, S., E-mail: sazevedo@fisica.ufpb.br, and Kaschny, J.R. Mon . "Effect of an electric field on the properties of BN Möbius stripes". United States. doi:10.1016/J.JSSC.2014.05.024.
@article{osti_22443394,
title = {Effect of an electric field on the properties of BN Möbius stripes},
author = {Lemos de Melo, J. and Azevedo, S., E-mail: sazevedo@fisica.ufpb.br and Kaschny, J.R.},
abstractNote = {In the present work, we present a first-principles study on the effects of an external electric field on the structural stability and electronic properties of boron nitride Möbius stripes with armchair and zigzag chirality. The calculation results indicate that the gap energy can be remarkably reduced by the application of an external field. Such reduction is in principle attributed to the occurrence of Stark effect, which significance depends on the orientation of the applied field relative to the stripe axis. Moreover, the electric field produces significant changes on dipole momentum of the structure and induces a negative shift on the calculated total energy, reducing the obtained formation energy. - Highlights: • The gap energy is remarkably reduced by the application of an external field. • The electric field produces significant changes on dipole momentum. • The field induces a negative shift on the total energy due to Stark effect.},
doi = {10.1016/J.JSSC.2014.05.024},
journal = {Journal of Solid State Chemistry},
issn = {0022-4596},
number = ,
volume = 217,
place = {United States},
year = {2014},
month = {9}
}