Electric-Field Control in Phosphorene-Based Heterostructures
Phosphorene is a graphene-like material with an intermediate band gap, in contrast to zero-gap graphene and large-gap dichalcogenides or hexagonal boron nitride (hBN), which makes it more suitable for nanoelectronic devices. However, inducing band-gap modulation in freestanding phosphorene nanoribbo...
| Main Authors: | , , , , |
|---|---|
| Format: | Article |
| Language: | English |
| Published: |
MDPI AG
2022-10-01
|
| Series: | Nanomaterials |
| Subjects: | |
| Online Access: | https://www.mdpi.com/2079-4991/12/20/3650 |
| _version_ | 1797470691555016704 |
|---|---|
| author | Calin-Andrei Pantis-Simut Amanda Teodora Preda Nicolae Filipoiu Alaa Allosh George Alexandru Nemnes |
| author_facet | Calin-Andrei Pantis-Simut Amanda Teodora Preda Nicolae Filipoiu Alaa Allosh George Alexandru Nemnes |
| author_sort | Calin-Andrei Pantis-Simut |
| collection | DOAJ |
| description | Phosphorene is a graphene-like material with an intermediate band gap, in contrast to zero-gap graphene and large-gap dichalcogenides or hexagonal boron nitride (hBN), which makes it more suitable for nanoelectronic devices. However, inducing band-gap modulation in freestanding phosphorene nanoribbons (PNRs) is problematic, as high in-plane electric fields are necessary to close the gap. We perform here a detailed investigation concerning the substrate influence on the electric-field control exerted by an external gate, using the density functional theory–non-equilibrium Green’s functions (DFT-NEGF) framework. It is established that the interaction with a hexagonal boron nitride supporting layer significantly enhances the gap modulation. Furthermore, we address the issue of contacting the PNRs, by using conducting graphene nanoribbons embedded in the support hBN layer. Within this setup, a measurable spin polarization is achieved owing to the anti-ferromagnetic coupling between the edges of the graphene nanoribbons. |
| first_indexed | 2024-03-09T19:40:38Z |
| format | Article |
| id | doaj.art-9db57ba77bfe4e57b8393df974fd401e |
| institution | Directory Open Access Journal |
| issn | 2079-4991 |
| language | English |
| last_indexed | 2024-03-09T19:40:38Z |
| publishDate | 2022-10-01 |
| publisher | MDPI AG |
| record_format | Article |
| series | Nanomaterials |
| spelling | doaj.art-9db57ba77bfe4e57b8393df974fd401e2023-11-24T01:41:05ZengMDPI AGNanomaterials2079-49912022-10-011220365010.3390/nano12203650Electric-Field Control in Phosphorene-Based HeterostructuresCalin-Andrei Pantis-Simut0Amanda Teodora Preda1Nicolae Filipoiu2Alaa Allosh3George Alexandru Nemnes4Horia Hulubei National Institute for Physics and Nuclear Engineering, 077126 Magurele-Ilfov, RomaniaHoria Hulubei National Institute for Physics and Nuclear Engineering, 077126 Magurele-Ilfov, RomaniaHoria Hulubei National Institute for Physics and Nuclear Engineering, 077126 Magurele-Ilfov, RomaniaFaculty of Physics, University of Bucharest, 077125 Magurele-Ilfov, RomaniaHoria Hulubei National Institute for Physics and Nuclear Engineering, 077126 Magurele-Ilfov, RomaniaPhosphorene is a graphene-like material with an intermediate band gap, in contrast to zero-gap graphene and large-gap dichalcogenides or hexagonal boron nitride (hBN), which makes it more suitable for nanoelectronic devices. However, inducing band-gap modulation in freestanding phosphorene nanoribbons (PNRs) is problematic, as high in-plane electric fields are necessary to close the gap. We perform here a detailed investigation concerning the substrate influence on the electric-field control exerted by an external gate, using the density functional theory–non-equilibrium Green’s functions (DFT-NEGF) framework. It is established that the interaction with a hexagonal boron nitride supporting layer significantly enhances the gap modulation. Furthermore, we address the issue of contacting the PNRs, by using conducting graphene nanoribbons embedded in the support hBN layer. Within this setup, a measurable spin polarization is achieved owing to the anti-ferromagnetic coupling between the edges of the graphene nanoribbons.https://www.mdpi.com/2079-4991/12/20/3650phosphorenegraphenehexagonal boron nitridenanoribbonelectric-field control |
| spellingShingle | Calin-Andrei Pantis-Simut Amanda Teodora Preda Nicolae Filipoiu Alaa Allosh George Alexandru Nemnes Electric-Field Control in Phosphorene-Based Heterostructures Nanomaterials phosphorene graphene hexagonal boron nitride nanoribbon electric-field control |
| title | Electric-Field Control in Phosphorene-Based Heterostructures |
| title_full | Electric-Field Control in Phosphorene-Based Heterostructures |
| title_fullStr | Electric-Field Control in Phosphorene-Based Heterostructures |
| title_full_unstemmed | Electric-Field Control in Phosphorene-Based Heterostructures |
| title_short | Electric-Field Control in Phosphorene-Based Heterostructures |
| title_sort | electric field control in phosphorene based heterostructures |
| topic | phosphorene graphene hexagonal boron nitride nanoribbon electric-field control |
| url | https://www.mdpi.com/2079-4991/12/20/3650 |
| work_keys_str_mv | AT calinandreipantissimut electricfieldcontrolinphosphorenebasedheterostructures AT amandateodorapreda electricfieldcontrolinphosphorenebasedheterostructures AT nicolaefilipoiu electricfieldcontrolinphosphorenebasedheterostructures AT alaaallosh electricfieldcontrolinphosphorenebasedheterostructures AT georgealexandrunemnes electricfieldcontrolinphosphorenebasedheterostructures |