Spatial quasi-bound states of Dirac electrons in graphene monolayer.

Our study investigated the emergence of spatial quasi-bound states (QBSs) in graphene monolayers induced by rectangular potential barriers. By solving the time-independent Dirac equation and using the transfer matrix formalism, we calculated the resonance energies and identify the QBSs based on probability density functions (PDF). We analyzed two types of structures: single and double barriers, and we find that the QBSs are located within the barrier region, at energies higher than the single barrier.

Effect of Cationic Substitution of Metal Species in Poly(vinylidene difluoride) (CHF) by Ab Initio Calculations.

The stronger activity of poly(vinylidene difluoride) (PVDF; CHF), related with its high dielectric constant and its ferromagnetic behavior, puts it into the kinds of materials with novel mechanical features to develop new devices with numerous advantages. Even though PVDF is a common piezoelectric polymer with promising multifunctionality, there still has been little progress in theoretically understanding its band structure and the addition of itinerant electrons because of its polymorphous and multiple phases. In this work, we present the structural and electronic properties of 25% doped CHF(X) (X = Al, Ni, and Cu) compounds, including high-frequency dielectric constant (ϵ) calculations.