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Quantum Electrodynamical time-dependent density functional theory
(2017-09-21)
The last two decades have witnessed increasing experimental interest in the study and control of many-electron systems strongly interacting with quantum electromagnetic fields. This includes notable experiments in the areas ...
Structural and Electronic Properties of Low-Dimensional C-Nanoassemblies and Possible Analogues for Si (and Ge)
(Hindawi Publishing Corporation, 2011)
The delocalised nature of p-electrons in carbon-based compounds has opened a huge path for new fundamental and technological developments using carbon-based materials of different dimensionality (from clusters, to surfaces, ...
Time-dependent electron phenomena at surfaces
(US National Academy of Sciences, 2011-01)
Femtosecond and subfemtosecond time scales typically rule electron dynamics at metal surfaces. Recent advance in experimental techniques permits now remarkable precision in the description of these processes. In particular, ...
Ab initio molecular dynamics on the electronic Boltzmann equilibrium distribution
(IOP Publishing, 2010-08-31)
We prove that for a combined system of classical and quantum particles, it is possible to describe a dynamics for the classical particles that incorporates in a natural way the Boltzmann equilibrium population for the ...
Electronic properties of graphene grain boundaries
(IOP Publishing, 2014-08-08)
Grain boundaries and defect lines in graphene are intensively studied for their novel electronic and magnetic properties. However, there is not a complete comprehension of the appearance of localized states along these ...
Spectroscopic analysis of atoms and molecules
(2015-09-11)
En esta tesis he estudiado varios aspectos de la respuesta espectroscópica de varios átomos y moléculas a una fuente electromagnética externa. Entender dicha respuesta cuántica tanto nuclear como electrónica es muy complicado, ...
First-principles study of the electronic structure and dynamical electronic excitations of strong spin-orbit metal Pb: bulk, surface and nanosized films
(2013-09-19)
En la presente tesis se ha realizado el estudio de primeros principios (esto es, sinhacer uso de parámetros ajustables) de la estructura electrónica y la dinámica deexcitaciones electrónicas en plomo, tanto en volumen como ...
Design and synthesis of biofunctional magnetic/fluorescent glyco-nanoparticles and quantum dots and their application as specific molecular imaging probes
(Servicio Editorial de la Universidad del País Vasco/Euskal Herriko Unibertsitatearen Argitalpen Zerbitzua, 2014-05-05)
[EN]Nanotechnology presents very promising characteristics for its application in the
biomedicine area. By now the most advanced application of nanoparticles in medicine is
the use of iron oxide nanoparticles embedded ...
Giant diamagnetism of gold nanorods
(IOP Publishing, 2014-07-30)
The presence of giant diamagnetism in Au nanorods, NRs, is shown to be a possible consequence of field induced currents in the surface electrons. The distance, Delta , between quantum surface energy levels has been calculated ...
Spin-helical Dirac states in graphene induced by polar-substrate surfaces with giant spin-orbit interaction: a new platform for spintronics
(Nature Publishing Group, 2014-11-04)
Spintronics, or spin electronics, is aimed at efficient control and manipulation of spin degrees of freedom in electron systems. To comply with demands of nowaday spintronics, the studies of electron systems hosting giant ...