Investigation of transport in edge passivated armchair silicene nanoribbon field effect transistor by ab-initio based Wannierised tight binding

Junghare, Rajesh C.; Patil, Ganesh C.

doi:10.1016/j.spmi.2021.106933

Cited by 6 publications

(3 citation statements)

References 32 publications

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“…The derived band gaps by using DFT calculations have also been shown in Table I which matches closely with the trend of band structure calculations reported in the literature [19], [30]- [34]. In our previous work, the trends in bandgap retrieved for the different widths of the nanoribbon are in good agreement with the findings in the literature [19]. Moreover, the study shows that, 3m+1 configuration has comparatively more bandgap than 3m configuration of the nanoribbon.…”

Section: Tight Binding Hamiltonian Of X-ene Nanoribbon 411 Ab-initio ...supporting

confidence: 88%

“…The atom-to-atom and atom-to-H distances are shown in Table I. The derived band gaps by using DFT calculations have also been shown in Table I which matches closely with the trend of band structure calculations reported in the literature [19], [30]- [34]. In our previous work, the trends in bandgap retrieved for the different widths of the nanoribbon are in good agreement with the findings in the literature [19].…”

Section: Tight Binding Hamiltonian Of X-ene Nanoribbon 411 Ab-initio ...supporting

confidence: 87%

“…This section presents the mathematical formulation which has been used in the formalism to solve the quantum transport. The details of the mathematical formulation can be seen in our previous work reported in [19]. In this work, the plane wave basis of wave function which uses periodic boundary conditions to calculate the electronic band structure have been used [20].…”

Section: Theorymentioning

confidence: 99%

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Performance Comparison of 2D Mono-Elemental (X-enes) Armchair Nanoribbon Schottky Barrier Field Effect Transistors

Junghare,

Patil

2024

IEEE Trans. Nanotechnology

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In this work, comprehensive analysis of Schottky barrier (SB) field effect transistors (FETs) having 2D mono-elemental (X-enes) nanoribbon (NR) with width of 10 dimers along the armchair direction as a channel material has been carried out. The multiscale approach used for simulating the hydrogen passivated X-ene NR SBFETs consists of density functional theory (DFT), Wannier function based tight binding and the nonequilibrium Green's Function formalism (NEGF). The derived bandgaps for X-enes such as graphene, germanene, phosphorene and silicene are 1.27, 0.379, 1.036 and 0.431 eV respectively. To incorporate the effect of band-bending at the metal-X-ene interface the modification in the conventional multi-scale approach has also been proposed. To mimic the effect of band bending at metal-X-ene interface the schemes proposed in the model are, addition of equivalent channel potential energy in the Hamiltonian matrix and the addition of fixed charges in initial charge profile. Further, the impact of SB width, Fermi level pinning and the scattering on the device performance has also been explored. The results show that the on-state drive current-to-off-state leakage current ratio in the case of graphene and phosphorene SBFETs is up-to the order ~107 whereas for silicene and germanene SBFETs it is in the order of ~103.

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