First-principles study of a single Fe-chain doped zigzag AlN nanoribbons

Ting Ting Sun; Yong Xin Wang; Xiu Juan Du; Zhao Rong Ning; Bo Ke

doi:10.1016/j.spmi.2014.02.008

First-principles study of a single Fe-chain doped zigzag AlN nanoribbons

Ting Ting Sun, Yong Xin Wang, Xiu Juan Du, Zhao Rong Ning, Bo Ke

Queen Mary University of London Engineering School

Northwestern Polytechnical University Xian

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

2 Scopus citations

Abstract

The effects of a single Fe-chain on the structural, electronic and magnetic properties of the H terminated zigzag AlN nanoribbons (ZAlNNRs) have been investigated systemically by using the first-principles methods. The results show that the valence charge density decreases for N, H, Fe and Al atom successively is related to their successively decreasing electronegativity. And no charge accumulated on Al atoms implies a significant charge transfer to N, Fe and H atoms from their nearest Al atom. In addition, the AlN nanoribbons change from nonmagnetic semiconductor to magnetic conductor after doping a single Fe chain, and the spin polarization and magnetic moment change suddenly after doping a single Fe-chain.

Original language	English
Pages (from-to)	136-143
Number of pages	8
Journal	Superlattices and Microstructures
Volume	69
DOIs	https://doi.org/10.1016/j.spmi.2014.02.008
State	Published - May 2014

Keywords

AlN nanoribbons
Electronic and magnetic properties
First-principles methods

Access to Document

10.1016/j.spmi.2014.02.008

Cite this

@article{cf416d78bd9e4e05b18a9cee9a2100df,

title = "First-principles study of a single Fe-chain doped zigzag AlN nanoribbons",

abstract = "The effects of a single Fe-chain on the structural, electronic and magnetic properties of the H terminated zigzag AlN nanoribbons (ZAlNNRs) have been investigated systemically by using the first-principles methods. The results show that the valence charge density decreases for N, H, Fe and Al atom successively is related to their successively decreasing electronegativity. And no charge accumulated on Al atoms implies a significant charge transfer to N, Fe and H atoms from their nearest Al atom. In addition, the AlN nanoribbons change from nonmagnetic semiconductor to magnetic conductor after doping a single Fe chain, and the spin polarization and magnetic moment change suddenly after doping a single Fe-chain.",

keywords = "AlN nanoribbons, Electronic and magnetic properties, First-principles methods",

author = "Sun, {Ting Ting} and Wang, {Yong Xin} and Du, {Xiu Juan} and Ning, {Zhao Rong} and Bo Ke",

year = "2014",

month = may,

doi = "10.1016/j.spmi.2014.02.008",

language = "英语",

volume = "69",

pages = "136--143",

journal = "Superlattices and Microstructures",

issn = "0749-6036",

publisher = "Academic Press Inc.",

}

TY - JOUR

T1 - First-principles study of a single Fe-chain doped zigzag AlN nanoribbons

AU - Sun, Ting Ting

AU - Wang, Yong Xin

AU - Du, Xiu Juan

AU - Ning, Zhao Rong

AU - Ke, Bo

PY - 2014/5

Y1 - 2014/5

N2 - The effects of a single Fe-chain on the structural, electronic and magnetic properties of the H terminated zigzag AlN nanoribbons (ZAlNNRs) have been investigated systemically by using the first-principles methods. The results show that the valence charge density decreases for N, H, Fe and Al atom successively is related to their successively decreasing electronegativity. And no charge accumulated on Al atoms implies a significant charge transfer to N, Fe and H atoms from their nearest Al atom. In addition, the AlN nanoribbons change from nonmagnetic semiconductor to magnetic conductor after doping a single Fe chain, and the spin polarization and magnetic moment change suddenly after doping a single Fe-chain.

AB - The effects of a single Fe-chain on the structural, electronic and magnetic properties of the H terminated zigzag AlN nanoribbons (ZAlNNRs) have been investigated systemically by using the first-principles methods. The results show that the valence charge density decreases for N, H, Fe and Al atom successively is related to their successively decreasing electronegativity. And no charge accumulated on Al atoms implies a significant charge transfer to N, Fe and H atoms from their nearest Al atom. In addition, the AlN nanoribbons change from nonmagnetic semiconductor to magnetic conductor after doping a single Fe chain, and the spin polarization and magnetic moment change suddenly after doping a single Fe-chain.

KW - AlN nanoribbons

KW - Electronic and magnetic properties

KW - First-principles methods

UR - http://www.scopus.com/inward/record.url?scp=84896522681&partnerID=8YFLogxK

U2 - 10.1016/j.spmi.2014.02.008

DO - 10.1016/j.spmi.2014.02.008

M3 - 文章

AN - SCOPUS:84896522681

SN - 0749-6036

VL - 69

SP - 136

EP - 143

JO - Superlattices and Microstructures

JF - Superlattices and Microstructures

ER -

First-principles study of a single Fe-chain doped zigzag AlN nanoribbons

Abstract

Keywords

Access to Document

Other files and links

Fingerprint

Cite this