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Molecular electronic devices are the upmost destiny of the miniaturization trend of electronic components. Although not yet reproducible on large scale, molecular devices are since recently subject of intense studies both experimentally and…
Quantum transport properties through single polycyclic hydrocarbon molecules attached to two metallic electrodes are studied by the use of Green's function technique. A parametric approach based on the tight-binding model is introduced to…
We study the effect of a structural nanoconstriction on the coherent transport properties of otherwise ideal zig-zag-edged infinitely long graphene ribbons. The electronic structure is calculated with the standard one-orbital tight-binding…
The exploring and understanding the electronic properties of molecules connected to metallic leads is a vital part of nanoscience if molecule is to have a future. This thesis documents a study for various families of organic and…
A real-space quantum transport simulator for carbon nanoribbon (CNR) MOSFETs has been developed. Using this simulator, the performance of carbon nanoribbon (CNR) MOSFETs is examined in the ballistic limit. The impact of quantum effects on…
The electronic structure and conductance of substitutionally edge-doped zigzag silicene nanoribbons (ZSiNRs) are investigated using the nonequilibrium Green's function method combined with the density functional theory. Two-probe systems of…
We examine transport through a quantum dot coupled to three ferromagnetic leads in the regime of weak tunnel coupling. A finite source-drain voltage generates a nonequilibrium spin on the otherwise non-magnetic quantum dot. This spin…
This work presents the electronic and transport properties of bilayer borophene nanoribbons. In the first part, a four-orbital tight-binding model is derived by fitting the \emph{ab initio} band structure. The transport properties of…
The quantum Hall effect in Graphene nano-ribbons (GNR) is investigated with the non-equilibrium Green s function (NEGF) based quantum transport model in the ballistic regime. The nearest neighbor tight-binding model based on pz orbital…
We have realized nanometer size constrictions in ballistic graphene nanoribbons grown on sidewalls of SiC mesa structures. The high quality of our devices allows the observation of a number of electronic quantum interference phenomena. The…
We report fully quantum simulations of realistic models of boron-doped graphene-based field effect transistors, including atomistic details based on DFT calculations. We show that the self-consistent solution of the three-dimensional (3D)…
We report on the transport properties of novel carbon nanostructures made of partially unzipped carbon nanotubes, which can be regarded as a seamless junction of a tube and a nanoribbon. We find that graphene nanoribbons act at certain…
A comprehensive first-principles theoretical study of the electronic properties and half-metallic nature of finite rectangular graphene nanoribbons is presented. We identify the bisanthrene isomer of the C28H14 molecule to be the smallest…
The electric-field effect on the electronic and magnetic properties of triangular and hexagonal graphene quantum rings with zigzag edge termination is investigated by means of the single-band tight-binding Hamiltonian and the mean-field…
It is well-known that ferromagnetism can be realized along the zigzag graphene nanoribbon edges, but the armchair graphene nanoribbon edges (AGNEs) are nonmagnetic. Here, we achieve Heisenberg antiferromagnetic spin chains through edge…
In this work, we propose the Bilayer Graphene Tunnel Field Effect Transistor (BG-TFET) as a device suitable for fabrication and circuit integration with present-day technology. It provides high Ion/Ioff ratio at ultra-low supply voltage,…
We theoretically study a current switch that exploits the phase acquired by a charge carrier as it tunnels through a potential barrier in graphene. The system acts as an interferometer based on an armchair graphene quantum ring, where the…
Graphene nanoribbons (GNRs) are promising components in future nanoelectronics due to the large mobility of graphene electrons and their tunable electronic band gap in combination with recent experimental developments of on-surface…
We have studied quantum transport in Graphene Nanoribbon Tunnel Field-Effect Transistors. Unlike other studies on similar structures, we have included dissipative processes induced by inelastic electron-phonon scattering and edge roughness…
Numerical calculations based on the recursive Green's functions method in the tight-binding approximation are performed to calculate the dimensionless conductance $g$ in disordered graphene nanoribbons with Gaussian scatterers. The…