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Issue 16, 2015
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Tuning the electronic and magnetic properties of graphene-like AlN nanosheets by surface functionalization and thickness

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Abstract

In this paper, the structural, electronic, and magnetic properties as well as the relative stabilities of fully and partially hydrogenated AlN nanosheets have been systematically investigated by first-principles calculations based on density functional theory. The results indicate that full hydrogenation is more energetically favorable for thinner AlN nanosheets, whereas semi-hydrogenation at N sites is preferred for thicker ones. Moreover, semiconductor → half-metal → metal transition with nonmagnetic → magnetic transfer can be achieved for AlN nanosheets by surface hydrogenation and increasing nanosheet thickness. The diverse electronic and magnetic properties highlight the potential applications of AlN nanosheets in electronics and spintronics.

Graphical abstract: Tuning the electronic and magnetic properties of graphene-like AlN nanosheets by surface functionalization and thickness

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Article information


Submitted
09 Jan 2015
Accepted
23 Mar 2015
First published
23 Mar 2015

Phys. Chem. Chem. Phys., 2015,17, 10919-10924
Article type
Paper
Author version available

Tuning the electronic and magnetic properties of graphene-like AlN nanosheets by surface functionalization and thickness

W. X. Zhang, T. Li, S. B. Gong, C. He and L. Duan, Phys. Chem. Chem. Phys., 2015, 17, 10919
DOI: 10.1039/C5CP00123D

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