Related papers: Electronic and Transport Property of Phosphorene N…
In this work, the electronic properties of phosphorene nanoribbons with different width and edge configurations are studied by using density functional theory. It is found that the armchair phosphorene nanoribbons are semiconducting while…
Nanoribbons - nanometer wide strips of a two-dimensional material - are a unique system in condensed matter physics. They combine the exotic electronic structures of low-dimensional materials with an enhanced number of exposed edges, where…
Two dimensional few-layer black phosphorus crystal structures have recently fabricated and demonstrated great potential in applications of electronics. In this work, we employed first principles density functional theory calculations to…
The shortcomings of mono-component systems, e.g., the gapless nature of graphene, the lack of air-stability in phosphorene, etc. have drawn great attention toward stacked materials expected to show interesting electronic and optical…
The intrinsic transport properties of zigzag graphene nanoribbons (ZGNRs) are investigated using first principles calculations. It is found that although all ZGNRs have similar metallic band structure, they show distinctly different…
Due to their unique electrical properties, graphene nanoribbons (GNRs) show great promise as the building blocks of novel electronic devices. However, these properties are strongly dependent on the geometry of the edges of the graphene…
This work presents theoretical demonstration of Aharonov-Bohm (AB) effect in monolayer phosphorene nanorings (PNR). Atomistic quantum transport simulations of PNR are employed to investigate the impact of multiple modulation sources on the…
Atomically precise graphene nanoribbons (GNRs) have emerged as promising candidates for nanoelectronic applications due to their widely tunable energy band gaps resulting from lateral quantum confinement and edge effects. Here we report on…
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…
We study the effects of uniaxial strains on the transport properties of the graphene nanoribbons(GNRs) connected with two metallic leads in heterojunctions, using the transfer matrix method. Two typical GNRs with zigzag and armchair…
In this work we address the effects on the conductance of graphene nanoribbons (GNRs) at which organic molecules are side-attached on the ribbon ends. For simplicity, only armchair (AGNRs) and zigzag (ZGNRs) nanoribbons are considered and…
This comprehensive study investigates charge transport through the multiple end zigzag edge states of finite-size armchair graphene nanoribbons/boron nitride nanoribbons (n-AGNR/w-BNNR) junctions under a longitudinal electric field, where n…
We investigate the influence of low-dimensionality and disorder in phonon transport in ultra-narrow armchair graphene nanoribbons (GNRs) using non-equilibrium Greens function (NEGF) simulation techniques. We specifically focus on how…
We investigate the effects of a perpendicular electric field applied to multilayer phosphorene nanoribbons with zigzag and armchair edges. Within the context of the tight-binding model, we explore the electronic properties of these systems…
In this work, we present a systematic first-principles density-functional theory based study of geometry, electronic structure, and optical properties of armchair phosphorene nanoribbons (APNRs), with the aim of understanding the influence…
Graphene has shown impressive properties for nanoelectronics applications including a high mobility and a width-dependent bandgap. Use of graphene in nanoelectronics would most likey be in the form of graphene nanoribbons (GNRs) where the…
By the means of screened exchange density functional theory, we find that the phosphorene nanoribbons with bare zigzag edges that undergo Peierls distortion is a antiferromagnetic semiconductor in which the polarized states are mainly…
New two diemensional structures nanoribbon including phosphorus and germanium atoms are introduced for the nanoelectronic applications. Under various bias voltages, the electronic transport in the systems have been studied within the…
With nonequilibrium Green's function approach combined with density functional theory, we perform an ab initio calculation to investigate transport properties of graphene nanoribbon junctions self-consistently. Tight-binding approximation…
{\it Ab initio} density functional theory calculations are performed to investigate the electronic structure of MoS$_2$ armchair nanoribbons in the presence of an external static electric field. Such nanoribbons, which are nonmagnetic and…