29 citations · 106 across the 9 of their papers we have counts for
10 papers
Non-equilibrium spin accumulation and magneto-conductance in chiral nanojunctions from density-functional group theory
M. A. García-Blázquez, W. Dednam, J. J. Palacios
It is theoretically well established that a spin-dependent electron transmission generally appears in chiral systems, even without magnetic components, as long as a strong spin-orb…
Unraveling the Interplay between Quantum Transport and Geometrical Conformations in Monocyclic Hydrocarbons Molecular Junctions
A. Martinez-Garcia, T. de Ara, L. Pastor-Amat +4
In the field of molecular electronics, particularly in quantum transport studies, the orientation of molecules plays a crucial role. This orientation, with respect to the electrode…
Simulation of the Einstein-de Haas effect combining molecular and spin dynamics
W. Dednam, C. Sabater, A. E. Botha +3
The spin and lattice dynamics of a ferromagnetic nanoparticle are studied via molecular dynamics and with semi-classical spin dynamics simulations where spin and lattice degrees of…
A group-theoretic approach to the origin of chirality-induced spin selectivity in non-magnetic molecular junctions
W. Dednam, M. A. García-Blázquez, Linda A. Zotti +4
Spin-orbit coupling gives rise to a range of spin-charge interconversion phenomena in non-magnetic systems where certain spatial symmetries are reduced or absent. Chirality-induced…
Dynamic bonding influenced by the proximity of adatoms to one-atom high step edges
W. Dednam, S. Tewari, E. B. Lombardi +3
Low-temperature scanning tunneling microscopy is used here to study dynamic bonding of gold atoms on surfaces under low coordination conditions. In the experiments, using an atomic…
A simple iterative map forecast of the COVID-19 pandemic
André E. Botha, Wynand Dednam
We develop a simple 3-dimensional iterative map model to forecast the global spread of the coronavirus disease. Our model contains at most two fitting parameters, which we determin…
Directional bonding explains high conductance values of atomic contacts in bcc metals
W. Dednam, C. Sabater, M. R. Calvo +4
Atomic-sized junctions of iron, created by controlled rupture, present unusually high values of conductance compared to other metals. This result is counter-intuitive since, at the…
Influence of relativistic effects on the contact formation of transition metals
M. R. Calvo, C. Sabater, W. Dednam +3
Our analysis of the contact formation processes undergone by Au, Ag and Cu nanojunctions, reveals that the distance at which the two closest atoms on a pair of opposing electrodes…
The role of first neighbors geometry in the electronic and mechanical properties of atomic contacts
C. Sabater, W. Dednam, M. R. Calvo +3
We study in detail, by experimental measurements, atomistic simulations and DFT transport calculations, the process of formation and the resulting electronic properties of atomic-s…
Optimized shooting method for finding periodic orbits of nonlinear dynamical systems
W. Dednam, A. E. Botha
An alternative numerical method is developed to find stable and unstable periodic orbits of nonlinear dynamical systems. The method exploits the high-efficiency of the Levenberg-Ma…