Electronic and Magnetic Properties of Graphene Möbius Strips: Density Functional Theory Approach

Hossein Mazidabadi; Hamidreza Simchi; Mahdi Esmaeilzadeh

doi:doi:10.11648/j.ijmsa.20140305.29

| Peer-Reviewed

Electronic and Magnetic Properties of Graphene Möbius Strips: Density Functional Theory Approach

Hossein Mazidabadi, Hamidreza Simchi, Mahdi Esmaeilzadeh

Published in International Journal of Materials Science and Applications (Volume 3, Issue 5)

Received: 26 July 2014 Accepted: 12 August 2014 Published: 30 September 2014

Views: Downloads:

Download PDF

Share This Article

Twitter
Linked In
Facebook

Abstract

Electronic and magnetic properties of graphene Möbius strips with different widths are studied using density functional theory. It is shown that the multiplicity of the Möbius strip, the cohesive energy, and the band gap energy increase with increasing the width of Möbius strip. We show that the magnetic moment of Möbius strip decreases with increasing the curvature and strain. Then the effects of an external electric field applied in the direction of the Möbius strip axis are studied and it is found that the Möbius strip keeps its metallic surface (edge) states even in the presence of the electric field. For sufficiently high applied electric field, the spin-flipping can take place in the Möbius strip. In addition, in contrast with the graphene nanoribbons, the graphene Möbius strips show half-semiconducting properties when an external electric field is applied.

Published in	International Journal of Materials Science and Applications (Volume 3, Issue 5)
DOI	10.11648/j.ijmsa.20140305.29
Page(s)	268-273
Creative Commons	This is an Open Access article, distributed under the terms of the Creative Commons Attribution 4.0 International License (http://creativecommons.org/licenses/by/4.0/), which permits unrestricted use, distribution and reproduction in any medium or format, provided the original work is properly cited.
Copyright	Copyright © The Author(s), 2014. Published by Science Publishing Group

Keywords

Graphene Möbius Strips, Magnetic Moment, and Spin-Dependent Density of States

References

[1]	C-W. Chang, M. Liu, S. Nam, S. Zhang, Y. Liu, G. Bartal, and X. Zhang, Phys. Rev. Lett. 105, 235501 (2010).
[2]	J. Gravesen and M. Willatzen, Phys. Rev. A 72, 032108 (2005).
[3]	N. Zhao, H. Dong, S. Yang, and C.P Sun, Phys. Rev. B 79, 125440 (2009).
[4]	D .J. Ballon and H. U. Voss, Phys. Rev. Lett. 101, 247701 (2008).
[5]	S. Tanda, T. Tsuneta, Y. Okajima, K. Inagaki, K. Yamaya, and N. Hatakenaka, Nature(London) 417, 397 (2002).
[6]	D. Ajami, O. Oeckler, A. Simon, and R. Herges, Nature (Londen) 426, 819 (2003).
[7]	C. Lee, X. Wei, J. W. Kysar, and J. Hone, Sceince, 321, 385 (2008).
[8]	D. E. Jiang and S. Dai, J. Phys. Chem. C 112, 5438 (2008).
[9]	M. Fujita, K. Wakabayashi, K. Nakada, and K. Kusakabe, J. Phys. Soc. Jpn, 65, 1920 (1996).
[10]	Y-W. Son, M. L. Cohen, and S. G. Louie, Nature (Londen) 444, 347 (2006).
[11]	O. V. Yazyev and M. I. Katsnelson, Phys. Rev. Lett. 100, 047209 (2008).
[12]	L. Brey, H. A. Fertig, and S. Das Sarma, Phys. Rev. Lett. 99, 116802 (2007).
[13]	S. Konschuh, M. Gmitra, and J. Fabian, Phys. Rev. B 82, 245412 (2010).
[14]	K.WakabayashiandK.Harigaya,J.Phys.Soc.Jpn.72,998(2003).
[15]	R. Herges, Chem. Rev 106, 4820 (2006).
[16]	E. W. S. Caetano, V. N. Freire, S. G. dos Santos, D. S. Galvao, and F. Sato, J. Chem. Phys. 128, 164719 (2008).
[17]	Z. L. Guo, Z. R. Gong, H. Dong, and C. P. Sun, Phys. Rev. B 80, 195310 (2009).
[18]	M. Z. Hasan and C. L. Kane, Rev. Mod. Phys. 82, 3045 (2010).
[19]	AD Güçlü, M Grabowski, P Hawrylak, Phys. Rev. B 87, 035435 (2013).
[20]	SY Yue, QB Yan, ZG Zhu, HJ Cui, QR Zheng, G Su, Carbon 71, 150 (2014).
[21]	X. Wang, X. Zhang, M. Ni, L. Zou, and Z. Zeng, Appl. Phys. Lett., 97, 123103 (2010).
[22]	J. B. Foresman and A. E. Frisch, Exploring Chemistry with Electronic Structure Methods (Gaussian Inc. 1996).
[23]	A. D. Becke, J. Chem. Phys. 98, 5648 (1993).
[24]	E. Rudberg, P. Salek, and Y. Luo, Nano Lett. 7, 2211 (2007).
[25]	Er-Jun Kan, Zhenyu Li, Jinlong Yang, and J. G. Hou, Appl. Phys. Lett. 91, 243116 (2007).
[26]	S. Yang and M. Kertesz, J. Phys. Chem. A. 110, 9771 (2006).
[27]	K. D. Dobbs and W. J. Hehre, J. Comput. Chem. 8, 880 (1987).
[28]	P. Shemella, Y. Zhang, M. Mailman, P. M. Ajayan, and S. K. Nayak, Appl. Phys. Lett. 91, 042101 (2007).
[29]	E. L. Starostin and G. H. M. Van Hejden, Nature Materials 6, 563 (2007).
[30]	Young-Woo Son, Marvin L. Cohen, and Steven G. Louie, Phys. Rev. Lett. 97, 216803 (2006).
[31]	J. Perdew and Y. Wang, Phys. Rev. B 45, 13244 (1994).
[32]	Er-Jum Kan, Zhenyu Li, Jinlong Yang, and J. G. Hou, Appl. Phys. Lett. 91, 243116(2007).
[33]	H. Zheng and W. Duley, Phys. Rev. B 78, 155118 (2008).

Cite This Article

Plain Text BibTeX RIS

APA Style

Hossein Mazidabadi, Hamidreza Simchi, Mahdi Esmaeilzadeh. (2014). Electronic and Magnetic Properties of Graphene Möbius Strips: Density Functional Theory Approach. International Journal of Materials Science and Applications, 3(5), 268-273. https://doi.org/10.11648/j.ijmsa.20140305.29

Copy | Download

ACS Style

Hossein Mazidabadi; Hamidreza Simchi; Mahdi Esmaeilzadeh. Electronic and Magnetic Properties of Graphene Möbius Strips: Density Functional Theory Approach. Int. J. Mater. Sci. Appl. 2014, 3(5), 268-273. doi: 10.11648/j.ijmsa.20140305.29

Copy | Download

AMA Style

Hossein Mazidabadi, Hamidreza Simchi, Mahdi Esmaeilzadeh. Electronic and Magnetic Properties of Graphene Möbius Strips: Density Functional Theory Approach. Int J Mater Sci Appl. 2014;3(5):268-273. doi: 10.11648/j.ijmsa.20140305.29

Copy | Download

@article{10.11648/j.ijmsa.20140305.29,
  author = {Hossein Mazidabadi and Hamidreza Simchi and Mahdi Esmaeilzadeh},
  title = {Electronic and Magnetic Properties of Graphene Möbius Strips: Density Functional Theory Approach},
  journal = {International Journal of Materials Science and Applications},
  volume = {3},
  number = {5},
  pages = {268-273},
  doi = {10.11648/j.ijmsa.20140305.29},
  url = {https://doi.org/10.11648/j.ijmsa.20140305.29},
  eprint = {https://article.sciencepublishinggroup.com/pdf/10.11648.j.ijmsa.20140305.29},
  abstract = {Electronic and magnetic properties of graphene Möbius strips with different widths are studied using density functional theory. It is shown that the multiplicity of the Möbius strip, the cohesive energy, and the band gap energy increase with increasing the width of Möbius strip. We show that the magnetic moment of Möbius strip decreases with increasing the curvature and strain. Then the effects of an external electric field applied in the direction of the Möbius strip axis are studied and it is found that the Möbius strip keeps its metallic surface (edge) states even in the presence of the electric field. For sufficiently high applied electric field, the spin-flipping can take place in the Möbius strip. In addition, in contrast with the graphene nanoribbons, the graphene Möbius strips show half-semiconducting properties when an external electric field is applied.},
 year = {2014}
}

Copy | Download

TY  - JOUR
T1  - Electronic and Magnetic Properties of Graphene Möbius Strips: Density Functional Theory Approach
AU  - Hossein Mazidabadi
AU  - Hamidreza Simchi
AU  - Mahdi Esmaeilzadeh
Y1  - 2014/09/30
PY  - 2014
N1  - https://doi.org/10.11648/j.ijmsa.20140305.29
DO  - 10.11648/j.ijmsa.20140305.29
T2  - International Journal of Materials Science and Applications
JF  - International Journal of Materials Science and Applications
JO  - International Journal of Materials Science and Applications
SP  - 268
EP  - 273
PB  - Science Publishing Group
SN  - 2327-2643
UR  - https://doi.org/10.11648/j.ijmsa.20140305.29
AB  - Electronic and magnetic properties of graphene Möbius strips with different widths are studied using density functional theory. It is shown that the multiplicity of the Möbius strip, the cohesive energy, and the band gap energy increase with increasing the width of Möbius strip. We show that the magnetic moment of Möbius strip decreases with increasing the curvature and strain. Then the effects of an external electric field applied in the direction of the Möbius strip axis are studied and it is found that the Möbius strip keeps its metallic surface (edge) states even in the presence of the electric field. For sufficiently high applied electric field, the spin-flipping can take place in the Möbius strip. In addition, in contrast with the graphene nanoribbons, the graphene Möbius strips show half-semiconducting properties when an external electric field is applied.
VL  - 3
IS  - 5
ER  -

Copy | Download

Author Information

Hossein Mazidabadi

Department of Physics, Iran University of Science and Technology, Narmak, Tehran 16844, Iran
Hamidreza Simchi

Department of Physics, Iran University of Science and Technology, Narmak, Tehran 16844, Iran； Semiconductor Technology Center, Tehran, Iran
Mahdi Esmaeilzadeh

Department of Physics, Iran University of Science and Technology, Narmak, Tehran 16844, Iran

Download PDF

Sections

Plain Text BibTeX RIS

APA Style

Hossein Mazidabadi, Hamidreza Simchi, Mahdi Esmaeilzadeh. (2014). Electronic and Magnetic Properties of Graphene Möbius Strips: Density Functional Theory Approach. International Journal of Materials Science and Applications, 3(5), 268-273. https://doi.org/10.11648/j.ijmsa.20140305.29

Copy | Download

ACS Style

Hossein Mazidabadi; Hamidreza Simchi; Mahdi Esmaeilzadeh. Electronic and Magnetic Properties of Graphene Möbius Strips: Density Functional Theory Approach. Int. J. Mater. Sci. Appl. 2014, 3(5), 268-273. doi: 10.11648/j.ijmsa.20140305.29

Copy | Download

AMA Style

Hossein Mazidabadi, Hamidreza Simchi, Mahdi Esmaeilzadeh. Electronic and Magnetic Properties of Graphene Möbius Strips: Density Functional Theory Approach. Int J Mater Sci Appl. 2014;3(5):268-273. doi: 10.11648/j.ijmsa.20140305.29

Copy | Download

@article{10.11648/j.ijmsa.20140305.29,
  author = {Hossein Mazidabadi and Hamidreza Simchi and Mahdi Esmaeilzadeh},
  title = {Electronic and Magnetic Properties of Graphene Möbius Strips: Density Functional Theory Approach},
  journal = {International Journal of Materials Science and Applications},
  volume = {3},
  number = {5},
  pages = {268-273},
  doi = {10.11648/j.ijmsa.20140305.29},
  url = {https://doi.org/10.11648/j.ijmsa.20140305.29},
  eprint = {https://article.sciencepublishinggroup.com/pdf/10.11648.j.ijmsa.20140305.29},
  abstract = {Electronic and magnetic properties of graphene Möbius strips with different widths are studied using density functional theory. It is shown that the multiplicity of the Möbius strip, the cohesive energy, and the band gap energy increase with increasing the width of Möbius strip. We show that the magnetic moment of Möbius strip decreases with increasing the curvature and strain. Then the effects of an external electric field applied in the direction of the Möbius strip axis are studied and it is found that the Möbius strip keeps its metallic surface (edge) states even in the presence of the electric field. For sufficiently high applied electric field, the spin-flipping can take place in the Möbius strip. In addition, in contrast with the graphene nanoribbons, the graphene Möbius strips show half-semiconducting properties when an external electric field is applied.},
 year = {2014}
}

Copy | Download

TY  - JOUR
T1  - Electronic and Magnetic Properties of Graphene Möbius Strips: Density Functional Theory Approach
AU  - Hossein Mazidabadi
AU  - Hamidreza Simchi
AU  - Mahdi Esmaeilzadeh
Y1  - 2014/09/30
PY  - 2014
N1  - https://doi.org/10.11648/j.ijmsa.20140305.29
DO  - 10.11648/j.ijmsa.20140305.29
T2  - International Journal of Materials Science and Applications
JF  - International Journal of Materials Science and Applications
JO  - International Journal of Materials Science and Applications
SP  - 268
EP  - 273
PB  - Science Publishing Group
SN  - 2327-2643
UR  - https://doi.org/10.11648/j.ijmsa.20140305.29
AB  - Electronic and magnetic properties of graphene Möbius strips with different widths are studied using density functional theory. It is shown that the multiplicity of the Möbius strip, the cohesive energy, and the band gap energy increase with increasing the width of Möbius strip. We show that the magnetic moment of Möbius strip decreases with increasing the curvature and strain. Then the effects of an external electric field applied in the direction of the Möbius strip axis are studied and it is found that the Möbius strip keeps its metallic surface (edge) states even in the presence of the electric field. For sufficiently high applied electric field, the spin-flipping can take place in the Möbius strip. In addition, in contrast with the graphene nanoribbons, the graphene Möbius strips show half-semiconducting properties when an external electric field is applied.
VL  - 3
IS  - 5
ER  -

Copy | Download