Electron transport of carbon atoms sequence in two-band model

Mousavi, Hamze; Bamdad, Mohammad

doi:10.1140/epjp/s13360-021-01549-y

Cited by 3 publications

(3 citation statements)

References 53 publications

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“…This indicates that the leads are highly conducting and uniform. The retarded Green's function matrix for the device and leads can be written as 49,[55][56][57][58][59]…”

Section: Tb Model and Methodologymentioning

confidence: 99%

“…The self-energies are usually complex numbers and possess the renormalization effect: the real part of self-energy indicates the onsite energy level shift at grid point 1 from ε 1 to ε Σ + Re 1 L , while the imaginary part of self-energy multiplied by −2 expresses the energy level broadening. The reader can refer to 55,59 for calculation method of the self-energies. The broadening or gamma functions, Γ λ , can be obtained as…”

Section: Tb Model and Methodologymentioning

confidence: 99%

“…The DOS of a system describes the number of states that are available to be occupied by the system at each level of energy. 31,55,61 The electron TP through the polyyne nanodevice in NEGF formalism is calculated by using the Fisher-Lee relation 62…”

Section: Tb Model and Methodologymentioning

confidence: 99%

See 2 more Smart Citations

Calculation of Electron Transport in Short Polyyne Nanochains

Mousavi¹,

Bamdad²,

Jalilvand³

2022

ECS J. Solid State Sci. Technol.

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The electron transport properties in short polyyne nanochains lying between two semi-infinite cumulene leads are investigated using tight-binding Hamiltonian of the Harrison's model and the Landauer-Buttiker formalism. The presence of all kinds of atomic orbitals occurring in the monatomic system one by one is studied and proven. The effects of dimerization on the density of states, electron transmission, and current-voltage characteristics of a linear chain of carbon atoms (carbyne) are discussed. Our results show that the polyyne exhibits a semiconducting behavior because of dimerization. In the absence of dimerization, the carbon nanochain behaves as a conductor. Actually, under mechanical strain due to dimerization, a metal-to-semiconductor transition occurs. Moreover, it is found that the band gap in polyyne nanochains is never a constant value, but highly depends on bond length alternation. Thereby, a polyyne nanochain via strain can be exploited as a nanodevice with tunable band gap. The influences of increasing length of the finite polyyne nanochain on the transport properties regarding all atomic orbital types are studied. The nonlinear behavior of the current-voltage curve for different temperatures of the metallic leads is calculated and interpreted. Our theoretical results are in a good overall agreement with the most recent experimental findings.

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“…This indicates that the leads are highly conducting and uniform. The retarded Green's function matrix for the device and leads can be written as 49,[55][56][57][58][59]…”

Section: Tb Model and Methodologymentioning

confidence: 99%

Section: Tb Model and Methodologymentioning

confidence: 99%

See 1 more Smart Citation

Calculation of Electron Transport in Short Polyyne Nanochains

Mousavi¹,

Bamdad²,

Jalilvand³

2022

ECS J. Solid State Sci. Technol.

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The transport properties of poly(G)-poly(C) DNA oligomers in the Harrison's model

Mousavi

Bamdad

2022

Journal of Molecular Graphics and Modelling

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The spin-dependent properties of silicon carbide/graphene nanoribbons junctions with vacancy defects

Khanlar

Vishkayi

Soleimani

2021

Sci Rep

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We have designed high-efficient spin-filtering junctions composed of graphene and silicon carbide nanoribbons. We have calculated the spin and charge transport in the junction by non-equilibrium Green’s function formalism combined with the density functional theory to find its spin-dependent electrical conductance, thermal conductance and Seebeck coefficient. In addition, the effect of Si and C atoms vacancies on the transport properties of the junction has been carefully investigated. The enhanced spin-filtering is clearly observed due to the edge and vacancy effects. On the other hand, vacancy defects increase the electrical and spin conductances of the junctions. The results show that the considered junctions are half-metal with reduced thermal conductance which makes them a suitable spin-dependent thermoelectric device. Our results predict the promising potential of the considered junctions for application in spintronic devices.

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Electron transport of carbon atoms sequence in two-band model

Cited by 3 publications

References 53 publications

Calculation of Electron Transport in Short Polyyne Nanochains

Calculation of Electron Transport in Short Polyyne Nanochains

The transport properties of poly(G)-poly(C) DNA oligomers in the Harrison's model

The spin-dependent properties of silicon carbide/graphene nanoribbons junctions with vacancy defects

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