177 citations · 856 across the 28 of their papers we have counts for
12 papers · 1 filter
Resistive Switching in Nanodevices
Hannes Raebiger, Antonio Claudio M. Padilha, Alexandre R. Rocha +1
Passing current at given threshold voltages through a metal/insulator/metal sandwich structure device may change its resistive state. Such resistive switching is unique to nanoscal…
DFT+U simulation of the TiO-TiO interface
A. C. M. Padilha, A. R. Rocha, G. M. Dalpian
The formation of conducting channels of TiO inside TiO-based memristors is believed to be the origin for the change in electric resistivity of these devices. Whil…
A study of TiO Magnéli phases using Density Functional Theory
A. C. M. Padilha, J. M. Osório-Guillen, A. R. Rocha +1
Defects in the rutile TiO structures have been extensively studied, but the intrinsic defects of the oxygen deficient TiO phases have not been given the same…
Spin-filtering and Disorder Induced Giant Magnetoresistance in Carbon Nanotubes: Ab Initio Calculations
J. M. de Almeida, A. R. Rocha, A. J. R. da Silva +1
Nitrogen-doped carbon nanotubes can provide reactive sites on the porphyrin-like defects. It's well known that many porphyrins have transition metal atoms, and we have explored tra…
Mimicking Nanoribbon Behavior Using a Graphene Layer on SiC
Matheus P. Lima, A. R. Rocha, Antônio J. R. da Silva +1
We propose a natural way to create quantum-confined regions in graphene in a system that allows large-scale device integration. We show, using first-principles calculations, that a…
Is magnetoresistance in excess of 1,000 % possible in Ni point contacts?
A. R. Rocha, T. Archer, S. Sanvito
Electronic transport in nickel magnetic point contacts is investigated with a combination of density functional theory and the non-equilibrium Green functions method. In particular…
Resonant magnetoresistance in organic spin-valves
Alexandre Reily Rocha, Stefano Sanvito
We investigate theoretically the effects of surface states over the magnetoresistance of Ni-based organic spin-valves. In particular we perform {\it ab initio} electronic transport…
Molecular-Spintronics: the art of driving spin through molecules
Stefano Sanvito, Alexandre Reily Rocha
Spintronics is the ability of injecting, manipulating and detecting electron spins into solid state systems. Molecular-electronics investigates the possibility of making electronic…
Conductance oscillations in zigzag platinum chains
V. M. Garcia-Suarez, A. R. Rocha, S. W. Bailey +3
Using first principles simulations we perform a detailed study of the structural, electronic and transport properties of monoatomic platinum chains, sandwiched between platinum ele…
Single channel conductance of H molecules attached to platinum or palladium electrodes
V. M. Garcia-Suarez, A. R. Rocha, S. W. Bailey +3
We report a detailed theoretical study of the bonding and conduction properties of an hydrogen molecule joining either platinum or palladium electrodes. We show that an atomic arra…
The role of structural evolution on the quantum conductance behavior of gold nanowires during stretching
L. G. C. Rego, A. R. Rocha, V. Rodrigues +1
Gold nanowires generated by mechanical stretching have been shown to adopt only three kinds of configurations where their atomic arrangements adjust such that either the [100], [11…
Quantum Conductance in Silver Nanowires: correlation between atomic structure and transport properties
V. Rodrigues, J. Bettini, A. R. Rocha +2
We have analyzed the atomic arrangements and quantum conductance of silver nanowires generated by mechanical elongation. The surface properties of Ag induce unexpected structural p…