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Structural relaxation and chain dynamics in polymer melts : a computational investigation on the role of the intramolecular barriers
(Servicio Editorial de la Universidad del País Vasco/Euskal Herriko Unibertsitatearen Argitalpen Zerbitzua, 2011-04-08)
En este trabajo presentamos un estudio sobre el efecto de las barreras intramoleculares en distintos aspectos de los procesos dinámicos en polímeros semiflexibles de longitud corta ("non-entangled"). El trabajo se divide ...
First-principles study of the electronic and magnetic properties of defective carbon nanostructures
(2012-04-12)
Using ab initio calculations we habe carried out an extensive study of the electronic and magnetic propeerties of defects and impurities in graphene and carbon nanotubes. In particular, we have focused on the following ...
One-dimensional potential for image-potential states on graphene
(IOP Publishing, 2014-02-05)
In the framework of dielectric theory, the static non-local self-energy of an electron near an ultra-thin polarizable layer has been calculated and applied to study binding energies of image-potential states near free-standing ...
Higher order vortex gyrotropic modes in circular ferromagnetic nanodots
(Nature Publishing Group, 2014-04-25)
Magnetic vortex that consists of an in-plane curling magnetization configuration and a needle-like core region with out-of-plane magnetization is known to be the ground state of geometrically confined submicron soft magnetic ...
Density-potential mapping in the standard and quantum electrodynamical time-dependent density functional theory
(2015-10-30)
This thesis is devoted to the formulation and implications of the time-dependent density functional theory (TDDFT). The work is divided into two main parts. In the first part we develop rigorous theorems for the density-potential ...
Microwave absorption properties of permalloy nanodots in the vortex and quasi-uniform magnetization states
(IOP Publishing, 2014-06-19)
When the in-plane bias magnetic field acting on a flat circular magnetic dot is smaller than the saturation field, there are two stable competing magnetization configurations of the dot: the vortex and the quasi-uniform ...
Hole-Phonon Relaxation and Photocatalytic Properties of Titanium Dioxide and Zinc Oxide: First-Principles Approach
(Hindawi Publishing, 2014)
First-principles calculations for the temporal characteristics of hole-phonon relaxation in the valence band of titanium dioxide and zinc oxide have been performed. A first-principles method for the calculations of the ...
Charge and spin transport in nanoscale devices
(2015-12-22)
Quantum ricochets: surface capture, release and energy loss of fast ions hitting a polar surface at grazing incidence
(IOP Publishing, 2014-06-09)
A diffraction mechanism is proposed for the capture, multiple bouncing and final escape of a fast ion (keV) impinging on the surface of a polarizable material at grazing incidence. Capture and escape are effected by elastic ...
The role of H-bonds on the structure and dynamics of very concentrated polymer solutions
(2015-10-02)
El proposito de la presente tesis doctoral es determinar como la presencia de moleculas de disolventes afecta las dinamicas de un polmero en diferentes escalas temporales y espaciales y como la dinamica del disolvente esta ...