Quantum mechanical insights into Edge-Dependent electronic properties of phosphorene nanoribbons
Phosphorene, known for its anisotropic physical properties, exhibits a direct moderate electronic band gap, making it a candidate for electronic applications. This study investigates the electronic properties of phosphorene nanoribbons (PNRs) with different edge configurations using density function...
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Elsevier
2025-02-01
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| Series: | Results in Physics |
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| Online Access: | http://www.sciencedirect.com/science/article/pii/S2211379725000348 |
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| author | Mohammadamir Bazrafshan Adeleh Vatankhahan Farhad Khoeini Omid Farzadian |
| author_facet | Mohammadamir Bazrafshan Adeleh Vatankhahan Farhad Khoeini Omid Farzadian |
| author_sort | Mohammadamir Bazrafshan |
| collection | DOAJ |
| description | Phosphorene, known for its anisotropic physical properties, exhibits a direct moderate electronic band gap, making it a candidate for electronic applications. This study investigates the electronic properties of phosphorene nanoribbons (PNRs) with different edge configurations using density functional theory (DFT). It addresses the role of sublattices in zigzag and armchair phosphorene nanoribbons, identifying six different edge configurations for zigzag and two for armchair edges. The density of states (DOS) at the valence band maximum (VBM) can be strongly different on the sublayers in some zigzag edge configurations, which can be useful in many applications such as sensing. Conversely, the conduction band minimum (CBM) shows low sensitivity to the edge configuration, indicating that electron transport can be less affected than hole transport. The electronic band gap of both armchair and zigzag nanoribbons decreases with increasing width, which also varies with edge type. Armchair nanoribbons undergo compressive strain, while zigzag nanoribbons experience tensile stress compared to the corresponding directions in phosphorene. These findings provide insight into the design of phosphorene-based nanodevices, including transistors, sensors, and flexible electronics. |
| format | Article |
| id | doaj-art-20d4f74505c540599e4797e2f28dbfd5 |
| institution | Kabale University |
| issn | 2211-3797 |
| language | English |
| publishDate | 2025-02-01 |
| publisher | Elsevier |
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| series | Results in Physics |
| spelling | doaj-art-20d4f74505c540599e4797e2f28dbfd52025-02-07T04:47:28ZengElsevierResults in Physics2211-37972025-02-0169108140Quantum mechanical insights into Edge-Dependent electronic properties of phosphorene nanoribbonsMohammadamir Bazrafshan0Adeleh Vatankhahan1Farhad Khoeini2Omid Farzadian3Department of Physics, University of Zanjan, P.O. Box 45195-313, Zanjan, Iran; Corresponding authors at: Department of Physics, University of Zanjan, P.O. Box 45195-313, Zanjan, Iran (F. Khoeini and M. Bazrafshan).Department of Physics, Faculty of Basic Sciences, Velayat University, Iranshahr, IranDepartment of Physics, University of Zanjan, P.O. Box 45195-313, Zanjan, Iran; Corresponding authors at: Department of Physics, University of Zanjan, P.O. Box 45195-313, Zanjan, Iran (F. Khoeini and M. Bazrafshan).Department of Physics, School of Sciences and Humanities, Nazarbayev University, Astana 010000, KazakhstanPhosphorene, known for its anisotropic physical properties, exhibits a direct moderate electronic band gap, making it a candidate for electronic applications. This study investigates the electronic properties of phosphorene nanoribbons (PNRs) with different edge configurations using density functional theory (DFT). It addresses the role of sublattices in zigzag and armchair phosphorene nanoribbons, identifying six different edge configurations for zigzag and two for armchair edges. The density of states (DOS) at the valence band maximum (VBM) can be strongly different on the sublayers in some zigzag edge configurations, which can be useful in many applications such as sensing. Conversely, the conduction band minimum (CBM) shows low sensitivity to the edge configuration, indicating that electron transport can be less affected than hole transport. The electronic band gap of both armchair and zigzag nanoribbons decreases with increasing width, which also varies with edge type. Armchair nanoribbons undergo compressive strain, while zigzag nanoribbons experience tensile stress compared to the corresponding directions in phosphorene. These findings provide insight into the design of phosphorene-based nanodevices, including transistors, sensors, and flexible electronics.http://www.sciencedirect.com/science/article/pii/S2211379725000348PhosphoreneArmchair edgeZigzag edgeNanoribbonSublatticeDFT |
| spellingShingle | Mohammadamir Bazrafshan Adeleh Vatankhahan Farhad Khoeini Omid Farzadian Quantum mechanical insights into Edge-Dependent electronic properties of phosphorene nanoribbons Results in Physics Phosphorene Armchair edge Zigzag edge Nanoribbon Sublattice DFT |
| title | Quantum mechanical insights into Edge-Dependent electronic properties of phosphorene nanoribbons |
| title_full | Quantum mechanical insights into Edge-Dependent electronic properties of phosphorene nanoribbons |
| title_fullStr | Quantum mechanical insights into Edge-Dependent electronic properties of phosphorene nanoribbons |
| title_full_unstemmed | Quantum mechanical insights into Edge-Dependent electronic properties of phosphorene nanoribbons |
| title_short | Quantum mechanical insights into Edge-Dependent electronic properties of phosphorene nanoribbons |
| title_sort | quantum mechanical insights into edge dependent electronic properties of phosphorene nanoribbons |
| topic | Phosphorene Armchair edge Zigzag edge Nanoribbon Sublattice DFT |
| url | http://www.sciencedirect.com/science/article/pii/S2211379725000348 |
| work_keys_str_mv | AT mohammadamirbazrafshan quantummechanicalinsightsintoedgedependentelectronicpropertiesofphosphorenenanoribbons AT adelehvatankhahan quantummechanicalinsightsintoedgedependentelectronicpropertiesofphosphorenenanoribbons AT farhadkhoeini quantummechanicalinsightsintoedgedependentelectronicpropertiesofphosphorenenanoribbons AT omidfarzadian quantummechanicalinsightsintoedgedependentelectronicpropertiesofphosphorenenanoribbons |