First-principles study of AlN nanosheets with chlorination

Sheng Shi Li; Chang Wen Zhang; Run Wu Zhang; Ping Li; Feng Li; Min Yuan; Miao Juan Ren; Wei Xiao Ji; Pei Ji Wang

doi:10.1039/c3ra46935b

First-principles study of AlN nanosheets with chlorination

Sheng Shi Li, Chang Wen Zhang^*, Run Wu Zhang, Ping Li, Feng Li, Min Yuan, Miao Juan Ren, Wei Xiao Ji, Pei Ji Wang

^*Corresponding author for this work

University of Jinan

Research output: Contribution to journal › Article › peer-review

19 Citations (Scopus)

Abstract

Based on first-principles calculations, we study the effects of the chlorine atoms on electronic and magnetic properties of AlN nanosheets (NS). We find that both the bare and fully-chlorinated AlNNRs demonstrate semiconducting behavior, while the half-chlorination on surface Al sites leads to the semiconductor-ferromagnetism transition. More interestingly, the chlorination on surface Al sites in monolayer and bilayer AlNNSs demonstrates the half-metallic ferromagnetic (FM) behavior with 100% spin-polarized currents at the Fermi level, suitable for applications in spintronics at the nanoscale.

Original language	English
Pages (from-to)	7500-7505
Number of pages	6
Journal	RSC Advances
Volume	4
Issue number	15
DOIs	https://doi.org/10.1039/c3ra46935b
Publication status	Published - 2014
Externally published	Yes

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10.1039/c3ra46935b

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title = "First-principles study of AlN nanosheets with chlorination",

abstract = "Based on first-principles calculations, we study the effects of the chlorine atoms on electronic and magnetic properties of AlN nanosheets (NS). We find that both the bare and fully-chlorinated AlNNRs demonstrate semiconducting behavior, while the half-chlorination on surface Al sites leads to the semiconductor-ferromagnetism transition. More interestingly, the chlorination on surface Al sites in monolayer and bilayer AlNNSs demonstrates the half-metallic ferromagnetic (FM) behavior with 100% spin-polarized currents at the Fermi level, suitable for applications in spintronics at the nanoscale.",

author = "Li, {Sheng Shi} and Zhang, {Chang Wen} and Zhang, {Run Wu} and Ping Li and Feng Li and Min Yuan and Ren, {Miao Juan} and Ji, {Wei Xiao} and Wang, {Pei Ji}",

year = "2014",

doi = "10.1039/c3ra46935b",

language = "English",

volume = "4",

pages = "7500--7505",

journal = "RSC Advances",

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T1 - First-principles study of AlN nanosheets with chlorination

AU - Li, Sheng Shi

AU - Zhang, Chang Wen

AU - Zhang, Run Wu

AU - Li, Ping

AU - Li, Feng

AU - Yuan, Min

AU - Ren, Miao Juan

AU - Ji, Wei Xiao

AU - Wang, Pei Ji

PY - 2014

Y1 - 2014

N2 - Based on first-principles calculations, we study the effects of the chlorine atoms on electronic and magnetic properties of AlN nanosheets (NS). We find that both the bare and fully-chlorinated AlNNRs demonstrate semiconducting behavior, while the half-chlorination on surface Al sites leads to the semiconductor-ferromagnetism transition. More interestingly, the chlorination on surface Al sites in monolayer and bilayer AlNNSs demonstrates the half-metallic ferromagnetic (FM) behavior with 100% spin-polarized currents at the Fermi level, suitable for applications in spintronics at the nanoscale.

AB - Based on first-principles calculations, we study the effects of the chlorine atoms on electronic and magnetic properties of AlN nanosheets (NS). We find that both the bare and fully-chlorinated AlNNRs demonstrate semiconducting behavior, while the half-chlorination on surface Al sites leads to the semiconductor-ferromagnetism transition. More interestingly, the chlorination on surface Al sites in monolayer and bilayer AlNNSs demonstrates the half-metallic ferromagnetic (FM) behavior with 100% spin-polarized currents at the Fermi level, suitable for applications in spintronics at the nanoscale.

UR - http://www.scopus.com/inward/record.url?scp=84892922474&partnerID=8YFLogxK

U2 - 10.1039/c3ra46935b

DO - 10.1039/c3ra46935b

M3 - Article

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SN - 2046-2069

VL - 4

SP - 7500

EP - 7505

JO - RSC Advances

JF - RSC Advances

IS - 15

ER -

First-principles study of AlN nanosheets with chlorination

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