Related papers: Strain-tunable charge carrier mobility of atomical…
We investigate the effect of strain along armchair and zigzag directions on electrical transport in graphene through a magnetic barrier and a linearly polarized electromagnetic wave. In the context of Floquet theory, the eigenvalues and…
By combining density functional theory and nonequilibrium Green's function, we study the electronic and transport properties of monolayer black phosphorus nanoribbons (PNRs). First, we investigate the band-gap of PNRs and its modulation by…
Using density functional tight-binding method, we studied the elastic properties, deformation and failure of armchair (AC) and zigzag (ZZ) phosphorene nano tubes (PNTs) under uniaxial tensile strain. We found that the deformation and…
Monolayer molybdenum disulfide ($\mathrm{MoS_2}$) under strain has many interesting properties and possible applications in technology. A recent experimental study examined the effect of strain on the bandgap of monolayer $\mathrm{MoS_2}$…
The double carrier transport has been observed in thin film black phosphorus (BP) field effect transistor (FET) devices in highly electron doped region. BP thin films with typical thickness of 15 nm were encapsulated by hexagonal boron…
Searching for materials with single atom-thin as well as planar structure, like graphene and borophene, is one of the most attractive themes in two dimensional materials. Herein, using density functional theory calculations, we have…
The effects of size, strain, and vacancies on thermal properties of armchair black phosphorus nanotubes are investigated based on qualitative analysis from molecular dynamics simulations. It is found that the thermal conductivity has a…
Using hybrid exchange-correlation functional in ab initio density functional theory calculations, we study magnetic properties and strain effect on the electronic properties of $\alpha$-graphyne monolayer. We find that a spontaneous…
Density functional theory based calculations have been performed for solving the phonon Boltzmann transport equation to investigate the thermal transport properties of monolayer (ML) ZnO under in-plane isotropic biaxial tensile strain. The…
BAs is III-V semiconductor with ultra-high thermal conductivity, but many of its electronic properties are unknown. This work applies predictive atomistic calculations to investigate the properties of BAs heterostructures, such as strain…
Atomically thin black phosphorus (BP) field-effect transistors show strong-weak localization transition which is tunable through gate voltages. Hopping transports through charge impurity induced localized states are measured at low-carrier…
A Stillinger-Weber interatomic potential is parameterized for phosphorene. It well reproduces the crystal structure, cohesive energy and phonon dispersion predicted by first-principles calculations. The thermal conductivity of phosphorene…
New allotropes of two-dimensional (2D) GaP and InP binary compounds were predicted from the structural optimization and dynamical stability analysis in the framework of the density functional calculations. These stabilized GaP and InP…
The $\nu=2/5$ state is spin-unpolarized at weak magnetic field and fully polarized at strong field. At intermediate field, a plateau of half the maximal polarization is observed. We study this phenomenon in the frame of composite fermion…
Carrier mobility is a crucial character for electronic devices since it domains power dissipation and switching speed. Materials with certain high carrier mobility, equally, unveil rich unusual physical phenomena elusive in their…
As the only non-carbon elemental layered allotrope, few-layer black phosphorus or phosphorene has emerged as a novel two-dimensional (2D) semiconductor with both high bulk mobility and a band gap. Here we report fabrication and transport…
We investigated the transport properties of BaFe$_2$As$_2$ single crystals before and after annealing with BaAs powder. The annealing remarkably improves transport properties, in particular the magnitude of residual resistivity which…
Mixed valence rare-earth samarium compounds SmX (X=Se,Te) have been recently proposed as candidate materials for use in high-speed, low-power digital switches driven by stress induced changes of resistivity. At room temperature these…
Aiming at increasing the ferroelectric polarization in AFM-E ortho-\hmo, we investigate the in-plane strain effects on both the magnetic configuration and the polarization by means of density functional theory calculations and model…
Recent experiment reports that high thermal conductivity of ~1000 W/mK is observed in cubic boron arsenide crystal (BAs). In order to expand the scope of future applications, we use first-principles calculations to investigate the…