We study the thermoelectric properties of As and Sb monolayers (arsenene and
antimonene) using density-functional theory and the semiclassical Boltzmann transport …

Arsenene, a single-layer arsenic nanosheet with a honeycomb structure, has recently
attracted increasing attention due to its numerous exceptional properties. In this study …

We study the equilibrium geometry and electronic structure of alloyed and doped arsenene
sheets based on the density functional theory calculations. AsN, AsP and SbAs alloys …

Using dispersion-corrected density functional theory calculations, we investigate the
structural and electronic properties of arsenic (As) nanosheet, which is a cousin of …

Recent findings of group-V nanosheets provide new building units for van der Waals hetero-
nanostructures. Based on first-principles calculation, we investigate the structural and …

The exceptionally low deformation potential is proposed as the key determinant for the high
carrier mobility in α-phosphorene. This is related to its unique corrugated two-dimensional …

Nitridophosphates have emerged as advanced materials due to their structural variability
and broad technical applicability. Their binary parent compound P3N5, a polymeric network …

Arsenene is the monolayer gray arsenic which was proposed only recently. Herein, we study
the magnetic properties and electronic structures of transition-metal-doped arsenene by …

Based on a comprehensive investigation including ab initio phonon and finite-temperature
molecular dynamics calculations, we find that two-dimensional tricycle-shaped arsenene (T …

Effectively modulating the electronic and magnetic properties of a two-dimensional system is
critical for the application of it in nanoscale devices. In this work, we explore the effect of …