Dataset Information

Optimum Contact Configurations for Quasi-One-Dimensional Phosphorene Nanodevices.

ABSTRACT: We employ atomistic quantum transport simulations based on non-equilibrium Green's function (NEGF) formalism of quasi-one-dimensional (quasi-1D) phosphorene, or phosphorene nanoribbons (PNRs), to explore routes towards minimizing contact resistance (R_C) in devices based on such nanostructures. The impact of PNR width scaling from ~5.5 nm down to ~0.5 nm, different hybrid edge-and-top metal contact configurations, and various metal-channel interaction strengths on the transfer length and R_C is studied in detail. We demonstrate that optimum metals and top-contact lengths exist and depend on PNR width, which is a consequence of resonant transport and broadening effects. We find that moderately interacting metals and nearly edge contacts are optimum only for wider PNRs and phosphorene, providing a minimum R_C of ~280 Ωμm. Surprisingly, ultra-narrow PNRs benefit from weakly interacting metals combined with long top contacts that lead to an added R_C of only ~2 Ωμm in the 0.49 nm wide quasi-1D phosphorene nanodevice.

SUBMITTER: Poljak M

PROVIDER: S-EPMC10254546 | biostudies-literature | 2023 May

REPOSITORIES: biostudies-literature

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Optimum Contact Configurations for Quasi-One-Dimensional Phosphorene Nanodevices.

Poljak Mirko M Matić Mislav M

Nanomaterials (Basel, Switzerland) 20230529 11

We employ atomistic quantum transport simulations based on non-equilibrium Green's function (NEGF) formalism of quasi-one-dimensional (quasi-1D) phosphorene, or phosphorene nanoribbons (PNRs), to explore routes towards minimizing contact resistance (<i>R<sub>C</sub></i>) in devices based on such nanostructures. The impact of PNR width scaling from ~5.5 nm down to ~0.5 nm, different hybrid edge-and-top metal contact configurations, and various metal-channel interaction strengths on the transfer l ...[more]

PMID: 37299662

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Project description:In recent years, a number of bulk materials and heterostructures have been explored due their connections with exotic materials phenomena emanating from flat band physics and strong electronic correlation. The possibility of realizing such fascinating material properties in simple realistic nanostructures is particularly exciting, especially as the investigation of exotic states of electronic matter in wire-like geometries is relatively unexplored in the literature. Motivated by these considerations, we introduce in this work carbon Kagome nanotubes (CKNTs)-a new allotrope of carbon formed by rolling up Kagome graphene, and investigate this material using specialized first principles calculations. We identify two principal varieties of CKNTs-armchair and zigzag, and find both varieties to be stable at room temperature, based on ab initio molecular dynamics simulations. CKNTs are metallic and feature dispersionless states (i.e., flat bands) near the Fermi level throughout their Brillouin zone, along with an associated singular peak in the electronic density of states. We calculate the mechanical and electronic response of CKNTs to torsional and axial strains, and show that CKNTs appear to be more mechanically compliant than conventional carbon nanotubes (CNTs). Additionally, we find that the electronic properties of CKNTs undergo significant electronic transitions-with emergent partial flat bands and tilted Dirac points-when twisted. We develop a relatively simple tight-binding model that can explain many of these electronic features. We also discuss possible routes for the synthesis of CKNTs. Overall, CKNTs appear to be unique and striking examples of realistic elemental quasi-one-dimensional materials that may display fascinating material properties due to strong electronic correlation. Distorted CKNTs may provide an interesting nanomaterial platform where flat band physics and chirality induced anomalous transport effects may be studied together.

Dataset Information

Optimum Contact Configurations for Quasi-One-Dimensional Phosphorene Nanodevices.

Publications

Optimum Contact Configurations for Quasi-One-Dimensional Phosphorene Nanodevices.

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