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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 ...
Efficient Gate-tunable light-emitting device made of defective boron nitride nanotubes: from ultraviolet to the visible
(Nature Publishing Group, 2013-09)
Boron nitride is a promising material for nanotechnology applications due to its two-dimensional graphene-like, insulating, and highly-resistant structure. Recently it has received a lot of attention as a substrate to grow ...
Long-lived oscillatory incoherent electron dynamics in molecules: trans-polyacetylene oligomers
(IOP Publishing, 2013-04)
We identify an intriguing feature of the electron-vibrational dynamics of molecular systems via a computational examination of trans-polyacetylene oligomers. Here, via the vibronic interactions, the decay of an electron ...
Spin orbitronics in metals
(2015-12-10)
El trabajo realizado en esta tesis se centra en el estudio de la inyección,transporte y detección de corrientes puras de espín en metales. Una de lasmaneras para crear y detectar estas corrientes es utilizando electrodos ...
Analysis and control of transient spectra using time-dependent density functional theory.
(2016-01-29)
Attosecond-transient absorption spectroscopy and attosecond time-resolved photoelectronspectroscopy based on pump-probe setups have recently become possibledue to the availability of ultra-fast pulsed laser sources. These ...