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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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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
American Chemical Society
2019
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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. |
format | Online Article Text |
id | pubmed-6648609 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2019 |
publisher | American Chemical Society |
record_format | MEDLINE/PubMed |
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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