Related papers: Semiconductor to metal transition in bilayer phosp…
We study theoretically the structural and electronic response of layered bulk black phosphorus to in-layer strain. Ab initio density functional theory (DFT) calculations reveal that the strain energy and interlayer spacing display a strong…
The tuning black phosphorene properties such as structural, electronic, transport are explored via substitutional C-doped. We employed density functional theory (DFT) calculations in combination with non-equilibrium Green's function (NEGF)…
We use a tight binding approach and density functional theory calculations to study the band structure of graphene/hexagonal boron nitride bilayer system in the most stable configuration. We show that an electric field applied in the…
Phosphorene, a 2D allotrope of phosphorus, is technologically very appealing because of its semiconducting properties and narrow band gap. Further reduction of the phosphorene dimensionality may spawn exotic properties of its electronic…
Phosphorene, a two-dimensional (2D) monolayer of black phosphorus, has attracted considerable theoretical interest, although the experimental realization of monolayer, bilayer, and few-layer flakes has been a significant challenge. Here we…
Strain can efficiently modulate the bandgap and carrier mobilities in two-dimensional (2D) materials. Conventional mechanical strain-application methodologies that rely on flexible, patterned or nano-indented substrates are severely limited…
Bilayer graphene has the very interesting property of an energy gap tunable with the vertical electric field. We propose an analytical model for a bilayer-graphene field-effect transistor, suitable for exploring the design parameter space…
The transition between gapped (semiconducting) and gapless (metallic) phases and tunability of bandgap in materials is a very lucrative yet considerably challenging goal for new-age device preparation. For bulk materials and for…
Contrary to recent reports, we show that the electronic properties of phosphorene nanotubes are surprisingly rich and much more complex than previously assumed. We find that all phosphorene nanotubes exhibit an intricate direct-to-indirect…
Few-layer black phosphorus (BP), also known as phosphorene, is poised to be the most attractive graphene analogue owing to its high mobility approaching that of graphene, and its thickness- tunable band gap that can be as large as that of…
Bilayer graphene is normally a semimetal with parabolic dispersion, but a tunable bandgap up to few hundreds meV can be opened by breaking the symmetry between the layers through an external potential. Ab-initio calculations show that the…
We present an analytic study, based on the tight-binding approximation, of strain effects on the electronic bandgap in single-layer black phosphorus. We obtain an expression for the variation of the bandgap induced by a general strain type…
Layered two-dimensional (2D) materials exhibit unique properties, expanding opportunities in material design. We investigate MX$_2$ transition metal dichalcogenides (TMDCs) (M = Mo, W; X = S, Se, Te) in homo- and heterobilayers with…
In this work, device performances of tunneling field effect transistors (TFETs) based on phosphorene are explored via self-consistent atomistic quantum transport simulations. Phosphorene is an ultra-thin two-dimensional (2-D) material with…
We have performed a comprehensive first-principles study of the electronic and magnetic properties of two-dimensional (2D) transition-metal dichalcogenide (TMD) heterobilayers MX2/MoS2 (M = Mo, Cr, W, Fe, V; X = S, Se). For M = Mo, Cr, W;…
Black phosphorus is emerging as a promising semiconductor for electronic and optoelectronic applications. To study fundamental carrier properties, we performed ultrafast femtosecond pump-probe spectroscopy on thin film black phosphorus…
Optical and electronic properties of black phosphorus strongly depend on the number of layers and type of stacking. Using first-principles calculations within the framework of density functional theory, we investigate the electronic…
Today, 2D semiconductor materials have been extended into the nitrogen group: phosphorene, arsenene, antimonene and even nitrogene. Motivated by them, based upon first-principles density functional calculations, we propose a new…
Ultrathin black phosphorus, or phosphorene, is the second known elementary two-dimensional material that can be exfoliated from a bulk van der Waals crystal. Unlike graphene it is a semiconductor with a sizeable band gap and its excellent…
The importance of controlling both the charge carrier density and the band gap of a semiconductor cannot be overstated, as it opens the doors to a wide range of applications, including, e.g., highly-tunable transistors, photodetectors, and…