First-principles investigation of F-functionalized ZGNR/AGNR for nanoscale interconnect applications
| Autor: | Sarat Kumar Patra, Kamal K. Jha, Mandar Jatkar |
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| Rok vydání: | 2021 |
| Předmět: |
010302 applied physics
Materials science Condensed matter physics Binding energy Fermi energy 02 engineering and technology 021001 nanoscience & nanotechnology 01 natural sciences Atomic and Molecular Physics and Optics Electronic Optical and Magnetic Materials Zigzag Modeling and Simulation 0103 physical sciences Ribbon Density of states Density functional theory Electrical and Electronic Engineering 0210 nano-technology Quantum Graphene nanoribbons |
| Zdroj: | Journal of Computational Electronics. 20:1461-1470 |
| ISSN: | 1572-8137 1569-8025 |
| DOI: | 10.1007/s10825-021-01714-7 |
| Popis: | Zigzag and armchair graphene nanoribbons (ZGNR and AGNR) have been investigated using the density functional theory (DFT) and nonequilibrium Green’s function (NEGF) framework. Based on binding energy calculations, both-edge-F-functionalized ZGNR emerges as the most thermostatically and energetically stable among various ZGNR and AGNR configurations. The band structures and density of states (DOS) reveal that all the examined configurations of ZGNR exhibit metallic behavior. The I–V characteristics of both-edge-F-functionalized ZGNR shows pure linear behavior among all the configurations of ZGNR and AGNR. For interconnect modeling, the small-signal dynamic performance parameters RBq, CBq, and Lkq are calculated using the standard two-probe model. Furthermore, both-edge-F-functionalized ZGNR shows lower values of CBq (98.07pF/cm), Lkq (45.38nH/ $$\mu $$ m) and quantum delay (42.17 $$\mu $$ s) due to the higher Fermi velocity. The impact of variation of the contact length and ribbon length on the both-edge-F-functionalized ZGNR interconnect model is also presented. F-functionalized ZGNR is a potential candidate for use in future low-power nanoscale high-speed interconnect applications. |
| Databáze: | OpenAIRE |
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