820 citations · 5.2k across the 50 of their papers we have counts for
8 papers · 1 filter
Localized basis sets for unbound electrons in nanoelectronics
D. Soriano, D. Jacob, J. J. Palacios
It is shown how unbound electron wave functions can be expanded in a suitably chosen localized basis sets for any desired range of energies. In particular, we focus on the use of g…
Quantum Transport in Metalporphyrins. An ab initio Green's function approach to nanosensors design
Ilya Yanov, Juan Jose Palacios, Glake Hill
An ab initio Green's function study of the electron transport properties of the selected metal-porphyrin complexes has been performed. Transmission spectra and current-voltage depe…
Anisotropic magnetoresistance in nanocontacts
D. Jacob, J. Fernandez-Rossier, J. J. Palacios
We present ab initio calculations of the evolution of anisotropic magnetoresistance (AMR) in Ni nanocontacts from the ballistic to the tunnel regime. We find an extraordinary enhan…
Exchange induced charge inhomogeneities in rippled neutral graphene
L. Brey, J. J. Palacios
A new mechanism that induces charge density variations in corrugated graphene is proposed. Here it is shown how the interplay between lattice deformations and exchange interactions…
Magnetism in graphene nano-islands
J. Fernandez-Rossier, J. J. Palacios
We study the magnetic properties of nanometer-sized graphene structures with triangular and hexagonal shapes terminated by zig-zag edges. We discuss how the shape of the island, th…
Metal contacts in carbon nanotube field effect transistors: Beyond the Schottky barrier paradigm
J. J. Palacios, P. Tarakeshwar, Dae M. Kim
The observed performances of carbon nanotube field effect transistors are examined using first-principles quantum transport calculations. We focus on the nature and role of the ele…