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Tuning two dimensional nanomaterial's structural and electronic properties has facilitated the new research paradigm in electronic device applications. In this work, the first principles density functional theory based methods are used to…
Using density functional theory and non-equilibrium Greens function technique, we performed theoretical investigations on the transport properties of several ZAZ SiNRs junctions,a similar kind of silicene molecules junction combined by…
We investigate electronic transport through exfoliated multilayers of CrSBr, a 2D semiconductor that is attracting attention because of its magnetic properties. We find an extremely pronounced anisotropy that manifests itself in qualitative…
Ab initio density functional theory calculations are carried out to predict the electronic properties and relative stability of gallium sulfide nanoribbons (Ga2S2-NRs) with either zigzag- or armchair-terminated edges. It is found that the…
Various types of defects in MoS2 monolayers and their influence on the electronic structure and transport properties have been studied using the Density-Functional based Tight-Binding method in conjunction with the Green's Function…
We study the electronic structure and transport properties of zigzag and armchair monolayer molybdenum disulfide nanoribbons using an 11-band tight-binding model that accurately reproduces the material's bulk band structure near the band…
The spin dependent charge transport in zigzag graphene nanoribbons (ZGNRs) has been investigated by the nonequilibrium Green's function method combined with the density functional theory at the local spin density approximation. The current…
The effects of lattice distortion and chemical disorder on charge transport properties of two-terminal zigzag phosphorene nanoribbons (zPNRs), which shows resonant tunneling behavior under an electrical applied bias, are studied. Our…
We report on study of electrical and structural properties of InSb/GaAs(001) heteroepitaxial layers in [110] and [1-10] crystallographic directions. Strong anisotropy of electron transport parameters measured at a low magnetic field has…
This article reports the successful synthesis of single crystalline two-dimensional thin flakes of NbSe$_2$. The XRD pattern of the grown crystal ensured its crystallization in a single phase with a hexagonal structure. The EDAX endorsed…
The thermoelectric properties of MoS2 armchair nanoribbons with different width are studied by using first-principles calculations and Boltzmann transport theory, where the relaxation time is predicted from deformation potential theory. Due…
In this work, we study the electronic properties of monolayer transition metal dichalcogenide materials subjected to aliovalent doping, using Nb-doped WS2 as an exemplar. Scanning transmission electron microscopy imaging of the as-grown…
The electronic nonlinear transport through ultra narrow graphene nanoribbons (sub-$10nm$) is studied. A stable region of negative differential resistance (NDR) appears in the I-V characteristic curve of {\it odd} zigzag graphene nanoribbons…
The two-dimensional electron system in (110)Al$_2$O$_{3-\delta}$/SrTiO$_3$ heterostructures displays anisotropic electronic transport. Largest and lowest conductivity and electron mobility $\mu$ are observed along the $[001]$ and…
We present a model to describe the nonlinear response to a direct dc current applied to a two-dimensional electron system in a strong magnetic field. The model is based on the solution of the von Neumann equation incorporating the exact…
We simulate the electronic and transport properties of metal/two-dimensional material/metal vertical heterostructures, with a focus on graphene, hexagonal boron nitride and two phases of molybdenum diselenide. Using density functional…
We study the electronic transport properties of two-dimensional (2D) fully-hydrogenated borophene (namely, borophane), using the density functional theory and non-equilibrium Green's function approaches. Borophane shows a perfect electrical…
We report the detailed study on transport properties of ZrB2 single crystal, a predicted topological nodal-line semimetal. ZrB2 exhibits extremely large magnetoresistance as well as field-induced resistivity upturn and plateau. These…
We show that the conductivity of a two-dimensional electron gas can be intrinsically anisotropic despite isotropic Fermi surface, energy dispersion, and disorder configuration. In the model we study, the anisotropy stems from the interplay…
We study the anisotropic electronic properties of 2D SnS, an analogue of phosphorene, grown by physical vapor transport. With transmission electron microscope and polarized Raman spectroscopy, we identify the zigzag and armchair directions…