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Tuning the Electronic and Magnetic Properties of Graphene Flake Embedded in Boron Nitride Nanoribbons with Transverse Electric Fields: First-Principles Calculations

[Image: see text] The electronic and magnetic properties of h-BN nanoribbions embedded with graphene nanoflakes (CBNNRs) are systematically studied by ab initio calculations. The CBNNRs with zigzag or armchair edges are all bipolar magnetic semiconductors (BMSs). The band gaps of zigzag CBNNRs (zCBN...

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Autores principales: Guan, Zhaoyong, Ni, Shuang, Hu, Shuanglin
Formato: Online Artículo Texto
Lenguaje:English
Publicado: American Chemical Society 2019
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6648609/
https://www.ncbi.nlm.nih.gov/pubmed/31460121
http://dx.doi.org/10.1021/acsomega.9b00752
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author Guan, Zhaoyong
Ni, Shuang
Hu, Shuanglin
author_facet Guan, Zhaoyong
Ni, Shuang
Hu, Shuanglin
author_sort Guan, Zhaoyong
collection PubMed
description [Image: see text] The electronic and magnetic properties of h-BN nanoribbions embedded with graphene nanoflakes (CBNNRs) are systematically studied by ab initio calculations. The CBNNRs with zigzag or armchair edges are all bipolar magnetic semiconductors (BMSs). The band gaps of zigzag CBNNRs (zCBNNRs) change linearly with the transverse electric field (E-field) for the first-order Stark effect, whereas for the armchair CBNNRs (aCBNNRs), the band gaps vary quadratically with the E-field for the second-order Stark effect. For zCBNNRs and aCBNNRs, they could transform from BMS to spin gapless semiconductor (SGS), metal, and half-metal (HM) under different transverse E-fields. The CBNNRs may transform into a semiconductor or HM, under the same E-fields, depending on the position of graphene flakes. The CBNNRs introduce local magnetic moment at carbon atoms, and the magnetic moment is determined by the size of the graphene flakes. These observations open the door to applications of CBNNRs in spintronic devices.
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spelling pubmed-66486092019-08-27 Tuning the Electronic and Magnetic Properties of Graphene Flake Embedded in Boron Nitride Nanoribbons with Transverse Electric Fields: First-Principles Calculations Guan, Zhaoyong Ni, Shuang Hu, Shuanglin ACS Omega [Image: see text] The electronic and magnetic properties of h-BN nanoribbions embedded with graphene nanoflakes (CBNNRs) are systematically studied by ab initio calculations. The CBNNRs with zigzag or armchair edges are all bipolar magnetic semiconductors (BMSs). The band gaps of zigzag CBNNRs (zCBNNRs) change linearly with the transverse electric field (E-field) for the first-order Stark effect, whereas for the armchair CBNNRs (aCBNNRs), the band gaps vary quadratically with the E-field for the second-order Stark effect. For zCBNNRs and aCBNNRs, they could transform from BMS to spin gapless semiconductor (SGS), metal, and half-metal (HM) under different transverse E-fields. The CBNNRs may transform into a semiconductor or HM, under the same E-fields, depending on the position of graphene flakes. The CBNNRs introduce local magnetic moment at carbon atoms, and the magnetic moment is determined by the size of the graphene flakes. These observations open the door to applications of CBNNRs in spintronic devices. American Chemical Society 2019-06-13 /pmc/articles/PMC6648609/ /pubmed/31460121 http://dx.doi.org/10.1021/acsomega.9b00752 Text en Copyright © 2019 American Chemical Society This is an open access article published under an ACS AuthorChoice License (http://pubs.acs.org/page/policy/authorchoice_termsofuse.html) , which permits copying and redistribution of the article or any adaptations for non-commercial purposes.
spellingShingle Guan, Zhaoyong
Ni, Shuang
Hu, Shuanglin
Tuning the Electronic and Magnetic Properties of Graphene Flake Embedded in Boron Nitride Nanoribbons with Transverse Electric Fields: First-Principles Calculations
title Tuning the Electronic and Magnetic Properties of Graphene Flake Embedded in Boron Nitride Nanoribbons with Transverse Electric Fields: First-Principles Calculations
title_full Tuning the Electronic and Magnetic Properties of Graphene Flake Embedded in Boron Nitride Nanoribbons with Transverse Electric Fields: First-Principles Calculations
title_fullStr Tuning the Electronic and Magnetic Properties of Graphene Flake Embedded in Boron Nitride Nanoribbons with Transverse Electric Fields: First-Principles Calculations
title_full_unstemmed Tuning the Electronic and Magnetic Properties of Graphene Flake Embedded in Boron Nitride Nanoribbons with Transverse Electric Fields: First-Principles Calculations
title_short Tuning the Electronic and Magnetic Properties of Graphene Flake Embedded in Boron Nitride Nanoribbons with Transverse Electric Fields: First-Principles Calculations
title_sort tuning the electronic and magnetic properties of graphene flake embedded in boron nitride nanoribbons with transverse electric fields: first-principles calculations
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6648609/
https://www.ncbi.nlm.nih.gov/pubmed/31460121
http://dx.doi.org/10.1021/acsomega.9b00752
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