Abstract 2D transition metal chalcogenide (TMDC) materials, such as MoS2, have recently
attracted considerable research interest in the context of their use in ultrascaled devices …

The trend predicted by Moore's law sets forth strict requirements on the electronic properties
of materials that cannot always be satisfied by conventional semiconductors. Thus, the last …

By using molecular dynamics simulation, we demonstrate that the thermal conductivity of
silicon-germanium nanowires (Si1− xGex NWs) depends on the composition remarkably …

We perform a spin polarized density-functional theory (DFT) study of the electronic and
magnetic properties of pristine and chemically doped germanene nanoribbons (GeNRs) …

The ability of core–shell nanowires to overcome existing limitations of heterostructures is
one of the key ingredients for the design of next generation devices. This requires a detailed …

The growth of heteroepitaxially strained semiconductors at the nanoscale enables tailoring
of material properties for enhanced device performance. For core/shell nanowires (NWs) …

This book deals with the theoretical and computational simulation of monoperiodic
nanostructures for different classes of inorganic substances. These simulations are related …

We investigated the electronic properties of strained Si/Ge core-shell nanowires along the
[110] direction using first principles calculations based on density-functional theory. The …

A comprehensive investigation of quantum confinement in nanowires has been carried out.
Though applied to silicon nanowires (SiNWs), it is general and applicable to all nanowires …

Motivated by experimental developments on silicene nanosheets, we performed first-
principles calculations to study the geometric, electronic and magnetic properties of pristine …