Magnetic quantum phase transition extension in strained P-doped graphene.

We explore quantum-thermodynamic effects in a phosphorous (P)-doped graphene monolayer subjected to biaxial tensile strain. Introducing substitutional P atoms in the graphene lattice generates a tunable spin magnetic moment controlled by the strain control parameter . This leads to a magnetic quantum phase transition (MQPT) at zero temperature modulated by .

Role of defects in the mechanical properties of graphene-copper heterostructures.

Through molecular dynamics simulations of tensile tests, the role that vacancies and Stone-Wales defects play in the mechanical properties of sandwich-like heterostructures, composed by graphene and two symmetric copper layers at nanoscale, is studied. The dependence on the armchair and zigzag chiralities of the graphene layer is also investigated. During elastic deformation, defects negatively affect the mechanical response.

Effects of biaxial strain on the impurity-induced magnetism in P-doped graphene and N-doped silicene: a first principles study.

The effects of biaxial strain on the impurity-induced magnetism in P-doped graphene (P-graphene) and N-doped silicene (N-silicene) are studied by means of spin-polarized density functional calculations, using the supercell approach. The calculations were performed for three different supercell sizes 4 × 4, 5 × 5, and 6 × 6, in order to simulate three different dopant concentrations 3.1, 2.

Mechanical response of bilayer silicene nanoribbons under uniaxial tension.

Understanding the behaviour of nanoscale systems is of great importance to tailor their properties. To this aim, we investigate the Young's modulus (YM) of defect-free and defective armchair bilayer silicene nanoribbons (SNRs), at room temperature, as a function of length and distance between layers. In this study, we perform molecular dynamics simulations using the environment-dependent interatomic potential to describe the interaction of the Si atoms.

Optical Properties of a Quantum Dot-Ring System Grown Using Droplet Epitaxy.

Electronic and optical properties of InAs/GaAs nanostructures grown by the droplet epitaxy method are studied. Carrier states were determined by k · p theory including effects of strain and In gradient concentration for a model geometry. Wavefunctions are highly localized in the dots.