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Chemical doping tunes the half-metallic properties of AlN nanoribbons

Published online by Cambridge University Press:  22 August 2014

Alejandro Lopez-Bezanilla
Alejandro Lopez-Bezanilla*
Affiliation:
Materials Science Division, Argonne National Laboratory, 9700 South Cass Avenue, Lemont, Illinois, United States
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Abstract

Spin-polarized first-principles calculations have been conducted to study the electronic structures and magnetic properties of O and S functionalized zigzag aluminium nitride (AlN) nanoribbons. Chemical functionalization with O atoms at the edges strengthens the half-metallic properties of the AlN by adding new electronic states at the Fermi level for one spin-channel and widening the gap of the other. On the contrary, edge-termination with S atoms renders the AlN ribbon a semiconductor. Peierls instabilities towards the dimerization and trimerization of the doping atoms were observed.

Keywords

AlNdopant
Type
Articles
Information
MRS Online Proceedings Library (OPL) , Volume 1704: Symposium QQ – Computationally Enabled Discoveries in Synthesis, Structure and Properties of Nanoscale Materials , 2014 , mrss14-1704-qq09-01
Copyright
Copyright © Materials Research Society 2014 

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References

REFERENCES

Topsakal, M.; Ciraci, S. Elastic and plastic deformation of graphene, silicene, and boron nitride honeycomb nanoribbons under uniaxial tension: A first-principles density-functional theory study, Phys. Rev. B 81, 024107 10.1103/PhysRevB.81.024107CrossRefGoogle Scholar
Lopez-Bezanilla, A.; Ganesh, P.; Kent, Paul R. C.; Sumpter, B.G. Spin-resolved self-doping tunes the intrinsic half-metallicity of AlN nanoribbons, Nano Research, 2014, 7(1), pp 63–70 10.1007/s12274-013-0371-1CrossRefGoogle Scholar
Wolf, S. A.; Awschalom, D. D.; Buhrman, R.A.; Daughton, J. M.; von Molnár, S.; Roukes, M. L.; Chtchelkanova, A. Y.; Treger, D. M. Spintronics: A spin-based electronics vision for the future. Science 2001, 294, 1488–1495.10.1126/science.1065389CrossRefGoogle ScholarPubMed
Zeng, H. ; Zhi, C.; Zhang, Z.; Wei, X.; Wang, X.; Guo, W.; Bando, Y.; Golberg, D. “White graphene”: Boron Nitride Nanoribbons via Boron Nitride Nanotube Unwrapping, Nano Lett., 2010, 10(12), pp 5049–5055 10.1021/nl103251mCrossRefGoogle Scholar
(a) Soler, J.; Artacho, E.; Gale, J.; Garcia, A.; Junquera, J.; Ordejon, P.; Sanchez-Portal, D. J. Phys.: Condens. Matter 2002, 14, 2745–2779. (b) Ordejon, P.; Artacho, E.; Soler, J. Phys. Rev. B 1996, 53, 10441–10444.Google Scholar
Lopez-Bezanilla, A.; Huang, J. ; Terrones, H. ; Sumpter, B.G., Boron Nitride Nanoribbons Become Metallic, Nano Lett. 2011, 11 (8) pp 3267–3273 10.1021/nl201616hCrossRefGoogle ScholarPubMed
Lopez-Bezanilla, A.; Huang, J. ; Kent, Paul R. C.; Sumpter, B.G., Tuning from Half-Metallic to Semiconducting Behavior in SiC Nanoribbons, J. of Phys. Chem. C, 2013, 117 (29) pp 15447–15455 Google Scholar