相关论文: External control of GaN band bending using phospho…

By using four layered graphene/gallium nitride (GaN) Schottky diodes with an undoped GaN spacer, we demonstrate highly effective gating of graphene at low bias rendering this type of structure very promising for potential applications. An…

Phosphorene, a monolayer of black phosphorus (BP), is an elemental two-dimensional material with interesting physical properties, such as high charge carrier mobility and exotic anisotropic in-plane properties. To fundamentally understand…

Using first-principles calculations, we study the electronic properties of few-layer phosphorene focusing on layer-dependent behavior of band gap, work function and band alignment and carrier effective mass. It is found that few-layer…

First-principles calculations reported here illuminate the effects of the interfacial properties of $\alpha$-Al$_{2}$O$_{3}$ and graphene, with emphasis on the structural and electronic properties. Various contact interfaces and different…

Self-assembled monolayers (SAMs) have been used to improve both the positive and negative bias-stress stability of amorphous indium gallium zinc oxide (IGZO) bottom gate thin film transistors (TFTs). N-hexylphosphonic acid (HPA) and…

In this work, we present a computational study on the possibility of strain engineering in monolayer Black Phosphorus (black P) and Blue Phosphorus (blue P) based MOSFETs. The material properties like band structure, carrier effective…

We study the effect of boron (B) and Phosphorous (P) co-doping on electronic and optical properties of graphitic carbon nitride (g-C$_3$N$_4$ or GCN) monolayer using density functional simulations. The energy band structure indicates that…

We report on the electronic properties of GaN$(1\bar{1}00)$ and $(0001)$ surfaces after three different and subsequent device processing compatible cleaning steps: HCl etching, annealing at $400$ $^\circ$C in N$_2$ atmosphere, and O$_2$…

Combining the electronic structures of two-dimensional monolayers in ultrathin hybrid nanocomposites is expected to display new properties beyond their simplex components. Here, first-principles calculations are performed to study the…

Manipulation of surface architecture of semiconducting nanowires with a control in surface polarity is one of the important objectives for nanowire based electronic and optoelectronic devices for commercialization. We report the growth of…

We studied the electronic structure and optic absorption of phosphorene (monolayer of black phosphorus) under strain. Strain was found to be a powerful tool for the band structure engineering. The in-plane strain in armchair or zigzag…

Atomic layer deposition (ALD) is an essential tool in semiconductor device fabrication that allows the growth of ultrathin and conformal films to precisely form heterostructures and tune interface properties. The self-limiting nature of the…

Beta-phase gallium oxide ($\beta$-Ga$_2$O$_3$) research has gained accelerated pace due to its superiorly large bandgap and commercial availability of large-diameter native substrates. However, the high acceptor activation energy obstructs…

We demonstrate that GaN formed in a Nanowall Network (NwN) morphology can overcome fundamental limitations in optoelectronic devices, and enable high light extraction and effective Mg incorporation for efficient p-GaN. We report the growth…

The monolayer Gallium sulfide (GaS) was demonstrated as a promising two-dimensional semiconductor material with considerable band gaps. The present work investigates the band gap modulation of GaS monolayer under biaxial or uniaxial strain…

We report on the phosphonic acid route for the grafting of functional molecules, optical switch (dithienylethene diphosphonic acid, DDA), on La0.7Sr0.3MnO3 (LSMO). Compact self-assembled monolayers (SAMs) of DDA are formed on LSMO as…

Predictive first-principles calculations suggest graphitic-like GaN to be theoretically possible. Thus far, it has not been experimentally reported. We report on GaN monolayer in a buckled geometry obtained in confinement at graphene/SiC…

We have assessed mechanical bending as a powerful controlling tool for the electronic structure and optical properties of phosphorene nanoribbons. We use state-of-the-art density functional approximations in our work. The overall…

ZnO/GaN alloys exhibit exceptional photocatalyst applications owing to the flexibly tunable band gaps that cover a wide range of the solar spectrum, and thus have attracted extensive attentions over the past few years. In this study,…

We study the effects of insulating oxides in their crystalline forms on the energy band structure of monolayer and bilayer graphene using a \textit{first principles} density functional theory based electronic structure method and a local…