Graphenylene-based nanoribbons for novel molecular electronic devices.

In the last decade, graphene has been frequently cited as one of the most promising materials for nanoelectronics. However, despite its outstanding mechanical and electronic properties, its use in the production of real nanoelectronic devices usually imposes some practical difficulties. This happens mainly due to the fact that, in its pristine form, graphene is a gapless material. We investigate theoretically the possibility of obtaining rectifying nanodevices using another carbon based two dimensional material, namely the graphenylene. This material has the advantage of being an intrinsic semiconductor, posing as a promising material for nanoelectronics. By doping graphenylene, one could obtain 2-dimensional p-n junctions, which can be useful for the construction of low dimensional electronic devices. We propose 2-dimensional diodes in which a clear rectification effect was demonstrated, with a conducting threshold of approximately 1.5 eV in direct bias and current blocking with opposite bias. During these investigations were found specific configurations that could result in devices with Zener-like behavior. Also, one unexpected effect was identified, which was the existence of transmission dips in electronic conductance plots. This result is discussed as a related feature to what was found in graphene nanoribbon systems under external magnetic fields, even though the external field was not a necessary ingredient to obtain such effect in the present case.

Tuning the Magnetic Properties of FeCo Thin Films through the Magnetoelastic Effect Induced by the Au Underlayer Thickness.

Tuning the magnetic properties of materials is a demand of several technologies; however, our microscopic understanding of the process that drives the enhancement of those properties is still unsatisfactory. In this work, we combined experimental and theoretical techniques to investigate the handling of magnetic properties of FeCo thin films via the thickness-tuning of a gold film used as an underlayer. We grow the samples by the deposition of polycrystalline FeCo thin films on the Au underlayer at room temperature by a magnetron sputtering technique, demonstrating that the lattice parameter of the sub-20 nm thickness gold underlayer is dependent on its thickness, inducing a stress up to 3% in sub-5 nm FeCo thin films deposited over it. Thus, elastic-driven variations for the in-plane magnetic anisotropy energy, Ku, up to 110% are found from our experiments. Our experimental findings are in excellent agreement with ab initio quantum chemistry calculations based on density functional theory, which helps to build up an atomistic understanding of the effects that take place in the tuning of the magnetic properties addressed in this work. The handling mechanism reported here should be applied to other magnetic films deposited on different metallic underlayers, opening possibilities for large-scale fabrication of magnetic components to be used in future devices.

Voltage-driven ring confinement in a graphene sheet: assessing conditions for bound state solutions.

We have systematically studied the single-particle states in quantum rings produced by a set of concentric circular gates over a graphene sheet placed on a substrate. The resulting potential profiles and the interaction between the graphene layer and the substrate are considered within the Dirac Hamiltonian in the framework of the envelope function approximation. Our simulations allow microscopic mapping of the character of the electron and hole quasi-particle solutions according to the applied voltage. General conditions to control and operate the bound state solutions are described as functions of external and controllable parameters that will determine the optical properties ranging from metallic to semiconductor phases. Contrasting behaviors are obtained when comparing the results for repulsive and attractive voltages as well as for variation of the relative strength of the graphene-substrate coupling parameter.

Magneto-optical properties in IV-VI lead-salt semimagnetic nanocrystals.

: We present a systematic study of lead-salt nanocrystals (NCs) doped with Mn. We have developed a theoretical simulation of electronic and magneto-optical properties by using a multi-band calculation including intrinsic anisotropies and magnetic field effects in the diluted magnetic semiconductor regime. Theoretical findings regarding both broken symmetry and critical phenomena were studied by contrasting two different host materials (PbSe and PbTe) and changing the confinement geometry, dot size, and magnetic doping concentration. We also pointed out the relevance of optical absorption spectra modulated by the magnetic field that characterizes these NCs.