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In the field of molecular electronics, especially in quantum transport experiments, determining the geometrical configurations of a single molecule trapped between two electrodes can be challenging. To address this challenge, we employed a combination of molecular dynamics (MD) simulations and electronic transport calculations based on density functional theory to determine the molecular orientation in our break-junction experiments under ambient conditions. The molecules used in this study are common solvents used in molecular electronics, such as benzene, toluene (aromatic), and cyclohexane (aliphatic). Furthermore, we introduced a novel criterion based on the normal vector of the surface formed by the cavity of these ring-shaped monocyclic hydrocarbon molecules to clearly define the orientation of the molecules with respect to the electrodes. By comparing the results obtained through MD simulations and density functional theory with experimental data, we observed that both are in good agreement. This agreement helps us to uncover the different geometrical configurations that these molecules adopt in break-junction experiments. This approach can significantly improve our understanding of molecular electronics, especially when using more complex cyclic hydrocarbons.

La superconductividad continúa siendo a día de hoy uno de los fenómenos físicos que suscitan mayor interés, tanto por el afán en el mundo científico por contar con una teoría completa, como el del área ingenieril por aprovechar sus propiedades únicas. En el camino natural a la mejor comprensión de este fenómeno, nos encontramos con la duda de qué sucede en la interfase entre un superconductor y un metal normal. Motivados por esta incerteza, hemos dedicado este trabajo al completo al estudio de la resistencia de contacto entre un metal normal y un superconductor, así como diversas técnicas y estrategias que nos permitan obtener datos de conductancias de forma muy precisa y exacta.

La litografía por haz de electrones ó técnica EBL es a día de hoy una interesante herramienta de trabajo en diversos campos de estudio e investigación de Ciencia de Materiales, gracias a su alto potencial para la nanofabricación de bajo coste, su rapidez de implementación y ofrecer al mismo tiempo la posibilidad de su uso sin necesidad de formación y conocimientos excesivamente profundos . Concretamente, este trabajo se ha centrado en poner en marcha la técnica de litografía en la Universidad de Alicante desde cero, aprendiendo los pasos involucrados en la creación de nanoelementos. A su vez, se han realizado unas primeras pruebas de conductividad sobre los resultados obtenidos una vez se ha completado el proceso de fabricación. La máquina utilizada consiste en un microscopio de barrido electrónico ó SEM adaptado para la litografía, que permite tanto la formación de imágenes de alta resolución como la puesta en práctica de dicha técnica. Si bien el microscopio adaptado es el eje central de este trabajo en particular y de la técnica EBL en general, todo el proceso de fabricación involucra otras técnicas experimentales de distintos ámbitos para una mayor sistematización del estudio. En este aspecto, nos hemos apoyado de los compañeros y profesores que nos han enseñado las técnicas y cuestiones prácticas que hemos ido necesitando durante el camino.

El presente proyecto ha perseguido dar el paso desde las Tecnologías de la Información y la Comunicación (TICs) a las Tecnologías del Aprendizaje y la Comunicación (TACs) mediante el diseño y fabricación de materiales macroporosos por impresión 3D que permiten trabajar en las clases prácticas de asignaturas como Sólidos Inorgánicos (Grado en Química), Ciencia de los Materiales (Grado en Química y Grado en Física) y asignaturas del Máster de Ciencia de Materiales. La estrategia adoptada fue el diseño de una metodología basada en el aprendizaje por proyectos en la que los estudiantes debían: i) diseñar mediante la herramienta de simulación Ansys un material macroporoso en base a unas propiedades esperadas asignadas por el profesor, ii) enviar a fabricar el material diseñado con una impresora 3D de doble cabezal que utiliza polímeros de bajo coste y bajo impacto ambiental, iii) caracterizar el material fabricado mediante técnicas convencionales de laboratorio y iv) comparar los resultados simulados con los experimentales. La experiencia resultó ser motivadora para todos los participantes y representa un importante avance docente, ya que no existe actualmente ningún estudio en la literatura internacional sobre la caracterización fluidodinámica de materiales macroporosos en prácticas de laboratorio.

After evaporation of the organic solvents, benzene, toluene, and cyclohexane on gold substrates, Scanning Tunneling Microscope (STM) shows the presence of a remaining adsorbed layer. The different solvent molecules were individually observed at ambient conditions, and their electronic transport properties characterized through the STM in the Break Junction approach. The combination of both techniques reveals, on one hand, that solvents are not fully evaporated over the gold electrode and, secondly, characterize the electronic transport of the solvents in molecular electronics.

We have carried out the synthesis of two dithia[9]helicenes by means of a LED-based double photocyclization. The compounds have sulfur atoms placed at the terminal rings of the helicene, and they display two alternative C2-symmetrical arrangements named exo (1) and endo (2). Separation of enantiomers of opposite helicity allowed the complete characterization of their chiroptical properties in solution, in silico, by X-ray crystallography, and adsorbed on gold. The theoretical analysis confirms the unexpected finding that endo-dithia[9]helicene displays an experimental dissymmetry factor in CPL (glum) larger than its isomer, exo-dithia[9]helicene. This enhanced glum factor ranks among the largest for a helicene-type molecule. Comparison with smaller analogues, namely exo and endo-dithia[7]helicenes (10 and 11, respectively), is also presented.

Las dificultades en la comprensión de los conceptos necesarios para la correcta interpretación de la relación estructura-propiedades en los materiales compuestos en estudiantes de las asignaturas de “Sólidos Inorgánicos” (2º curso del Grado en Química), “Ciencia de los Materiales” (4º curso del Grado en Química) y “Ciencia de Materiales” (4º curso del Grado en Física) de la Universidad de Alicante, han supuesto el foco de atención para los participantes del presente proyecto. En la red INTERMAT X (red de investigación INTERdisciplinar en MATeriales), se evaluó la posibilidad de incorporar dichos conceptos, hasta ahora impartidos únicamente en clases teóricas, a la enseñanza experimental mediante el diseño y puesta en marcha de unas prácticas de laboratorio. En estas se plantea la utilización de la tecnología de impresión 3D para la fabricación y caracterización mecánica de materiales compuestos junto con la simulación computacional como apoyo conceptual. Los resultados de la experiencia indicaron un alto grado de éxito, observándose un aumento del aprendizaje, y por tanto, del rendimiento académico del estudiantado. La experiencia educativa, con un 33% de carácter presencial y un 67% de carácter virtual, resultó ser una alternativa a las prácticas convencionales de alta presencialidad para su implementación en épocas de pandemia.

El hecho de que la fenomenología de un superconductor se pueda explicar mediante un fotón masivo y que esto surja a partir de una ruptura espontánea de la simetría gauge U(1), inspiró el desarrollo del mecanismo de Higgs, por el cual las partículas adquieren masa. El objetivo de este trabajo es estudiar las analogías entre el modelo de Higgs y las teorías de superconductividad de Ginzburg-Landau (GL) y de Bardeen-Cooper-Schrieffer (BCS). Para ello, se introducen los conceptos de simetría gauge global y local, la mecánica lagrangiana y el formalismo de la segunda cuantización. Primero se presenta el modelo abeliano de Higgs U(1), para después desarrollar la teoría GL y buscar analogías. Lo mismo se hace con la teoría BCS. Estas teorías se basan en la ruptura de la simetría gauge local (Higgs, espontáneamente) o global (GL y BCS, dinámicamente), aunque más allá de eso, se concluye que son fundamentalmente analogías formales, sin un contenido físico común. Aun así, también se plantean las hipótesis que surgen al intentar igualar desde el punto de vista físico el modelo de Higgs y las teorías de superconductividad: una ruptura de simetría gauge local U(1) dinámica o un bosón de Higgs compuesto.

Here we report on the identification and characterization of suspended double-stranded Au atomic chains up to ∼4 atoms long, using a scanning tunneling microscope adapted for the fabrication and simultaneous recording of the conductance. These chains are one of the smallest structures with the highest stability connecting two metallic electrodes, identified from the evolution of the conductance in the process of the controlled breakage of the contact between two metals. Molecular dynamics simulations and density functional theory electron transport calculations help us to unveil the richness of the geometric structures appearing in the experiments in the form of double-stranded chains, their stability, and how these can evolve into the formation of monoatomic chains.

The mechanically controllable break junction (MCBJ) experimental setup is one of the main techniques employed in the study of electronic transport properties at the atomic and molecular scales. This work presents the construction of an inexpensive and simple but robust setup that shows the emergence of conductance quantization as a macroscopic gold wire is pulled to atomic dimensions. The homemade device is based on the MCBJ principle and allows repeatedly forming and breaking the metallic contact to perform a statistical analysis of the data extracting the most frequent electron transport structure. The histogram built from conductance measurements, at room temperature in air, show that the quality of the MCBJ equipment developed here is comparable to that of more sophisticated devices used in research laboratories. It is able to resolve up to three conductance peaks associated with gold nanowires reported in the literature. Such an experiment is suggested to be implemented as a powerful pedagogical tool in modern undergraduate physics labs.

As the first of a series of molecular solenoids, two classes of dithia[7]helicenes (coil-shaped molecules with sulfur atoms integrated within a helical conjugated system) have been devised and synthesized to be used in molecular electronics. We used a modular assembly of fragments using Pd catalyzed coupling reactions and a final photocyclization step for the syntheses; this strategy gave us straightforward access to helicenes bearing thiophene end rings with either exo or endo topologies. Unequivocal structural characterization was carried out by X-ray crystallography. In the solid state, their crystal architectures show little similarities; both can be considered an ensemble of heterochiral dimers (P/M) that are themselves very different in nature in light of their main pairing interactions. On a gold surface, the effect of the sulfur atom is to strengthen their binding to the electrodes, as manifested by scanning tunneling microscopy (STM) performed at room temperature. Different coating patterns were observed for each class of molecule, although the most prominent finding is that we could see resolved STM images of a single molecule, with a full display of its inherent chirality under room temperature conditions.

Atomic-sized contacts of iron, created in scanning tunneling microscope break junctions, present unusually high values of conductance compared to other metals. This result is counterintuitive since, at the nanoscale, body-centered-cubic metals are expected to exhibit lower coordination than face-centered-cubic metals. In this work we first perform classical molecular dynamics simulations of the contact rupture, using two different interatomic potentials. The first potential is isotropic, and produces mostly single-atom prerupture contacts. The second potential accounts for the directional bonding in the materials, and produces mostly highly coordinated prerupture structures, generally consisting of more than one atom in contact. To compare the two different types of structures with experiments, we use them as input to density functional theory electronic transport calculations of the conductance. We find that the highly coordinated structures, obtained from the anisotropic potential, yield higher conductances which are statistically in better agreement with those measured for body-centered-cubic iron. We thus conclude that the directional bonding plays an important role in body-centered-cubic metals.

The report of the Meissner effect in annealed samples of K3Tp (Tp = p-terphenyl) above 120 K has raised the interest in this deceptively simple material concerning superconductivity. We have investigated the structural integrity of the Tp framework in the annealed samples of KxTp at increasing processing time and temperature T. Our experimental studies show that both K2Tp and K3Tp mixing stoichiometries have identical Raman (solid state) and UV–vis (1,2-dimethoxyethane solution) spectra, being consistent with the molecular dianion by density functional theory and time-dependent density functional theory simulations. Magnetization vs T plots show no signs of superconductivity and neither do conductance vs T plots. Searching for potentially active minor byproducts formed during thermal processing, the role of K-doped poly(p-phenylene) has been examined, but it does not seem to explain the reported effects either. Further efforts are needed to explain the nature of this elusive phenomenon.

[EN] The report of the Meissner effect in annealed samples of K3Tp (Tp = p-terphenyl) above 120 K has raised the interest in this deceptively simple material concerning superconductivity. We have investigated the structural integrity of the Tp framework in the annealed samples of KxTp at increasing processing time and temperature T. Our experimental studies show that both K2Tp and K3Tp mixing stoichiometries have identical Raman (solid state) and UV–vis (1,2-dimethoxyethane solution) spectra, being consistent with the molecular dianion by density functional theory and time-dependent density functional theory simulations. Magnetization vs T plots show no signs of superconductivity and neither do conductance vs T plots. Searching for potentially active minor byproducts formed during thermal processing, the role of K-doped poly(p-phenylene) has been examined, but it does not seem to explain the reported effects either. Further efforts are needed to explain the nature of this elusive phenomenon.

We study in detail, via experimental measurements, atomistic simulations, and density functional theory transport calculations, the process of formation and the resulting electronic properties of atomic-sized contacts made of Au, Ag, and Cu. Our data analysis of both experimental results and simulations leads to a precise relationship between geometry and electronic transmission—we reestablish the significant influence of the number of first neighbors on the electronic properties of atomic-sized contacts. This result allows us also to interpret subtle differences between the metals during the process of contact formation as well as the characteristics of the resulting contacts.

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 jump into contact is, on average, 2 times longer for Au than either Ag or Cu. This suggests the existence of a longer-range interaction between those two atoms in the case of Au, a result of the significant relativistic energy contributions to the electronic structure of this metal, as confirmed by ab initio calculations. Once in the contact regime, the differences between Au, Ag, and Cu are subtle, and the conductance of single-atom contacts for metals of similar chemical valence is mostly determined by geometry and coordination.

Graphite surfaces can be manipulated by several methods to create graphene structures of different shapes and sizes. Scanning tunneling microscopy (STM) can be used to create these structures either through mechanical contact between the tip and the surface or through electro-exfoliation. In the latter, the mechanisms involved in the process of exfoliation at an applied voltage are not fully understood. Here, we show how a graphite surface can be locally exfoliated in a systematic manner by applying an electrostatic force with a STM tip at the edge of a terrace, forming triangular flakes several nanometers in length. We demonstrate, through experiments and simulations, how these flakes are created by a two-step process: first a voltage ramp must be applied at the edge of the terrace, and then the tip must be scanned perpendicular to the edge. Ab initio electrostatic calculations reveal that the presence of charges on the graphite surface weakens the interaction between layers allowing for exfoliation at voltages in the same range as those used experimentally. Molecular dynamics simulations show that a force applied locally on the edge of a step produces triangular flakes such as those observed under STM. Our results provide new insights into surface modification that can be extended to other layered materials.

Hemos desarrollado una técnica de medida a 4 puntas en corriente alterna con amplificadores “Lock-in” sincronizados para obtener la variación local de la capacidad entre los electrodos de un STM simultáneamente con su conductancia. La resolución a la que llegamos es de fF. En la evolución de la capacidad frente a la distancia entre electrodos distinguimos tres regiones: capacidad clásica (cuando los electrodos están más alejados), capacidad cuántica (en un régimen intermedio) y fuga de capacidad (cuando se entra en corriente túnel). En el régimen de emisión de campo, en los puntos en los que la energía incidente del electrón coincide con la de los niveles discretos por encima de la barrera túnel, se produce fuga de capacidad. Por otro lado, hemos encontrado evidencias de una emergencia del momento magnético en cadenas atómicas de platino que conectan dos electrodos hechos del mismo metal. El ajuste de las anomalías a voltaje de polarización cero a la función Kondo-Fano muestra un apantallamiento del momento magnético por parte de los electrones de conducción. Por último, hemos estudiado el papel que juegan los electrones f en el transporte electrónico en nanocontactos. Para ello, hemos realizado medidas de corriente eléctrica en nanocontactos hechos de gadolinio y europio, respectivamente. Hemos visto que para ambos metales la conductancia del contacto de un átomo está por debajo del cuanto de conductancia. Asimismo, los histogramas de conductancia en Gd son reproducibles lo cual contrasta con el caso de Eu en el que dichos histogramas no muestran tal reproducibilidad. Atribuimos este último hecho al desorden magnético que los electrones f causan en el metal. Con el ajuste de las anomalías a voltaje cero a la función Kondo-Fano hemos visto que los electrones f son apantallados por los de conducción. Además, en el caso de Gd vemos que presenta dos temperaturas Kondo, debidas al apantallamiento de los electrones d y f, respectivamente.

We report on the fabrication, transport measurements, and density functional theory (DFT) calculations of atomic-size contacts made of gadolinium (Gd). Gd is known to have local moments mainly associated with f electrons. These coexist with itinerant s and d bands that account for its metallic character. Here we explore whether and how the local moments influence electronic transport properties at the atomic scale. Using both scanning tunneling microscope and lithographic mechanically controllable break junction techniques under cryogenic conditions, we study the conductance of Gd when only few atoms form the junction between bulk electrodes made of the very same material. Thousands of measurements show that Gd has an average lowest conductance, attributed to single-atom contact, below 2e2h. Our DFT calculations for monostrand chains anticipate that the f bands are fully spin polarized and insulating and that the conduction may be dominated by s, p, and d bands. We also analyze the electronic transport for model nanocontacts using the nonequilibrium Green's function formalism in combination with DFT. We obtain an overall good agreement with the experimental results for zero bias and show that the contribution to the electronic transport from the f channels is negligible and that from the d channels is marginal.

El procesamiento de información usado hoy en día, está basado fundamentalmente en la industria de los semiconductores. Los imanes moleculares están siendo estudiados actualmente como una gran alternativa o complemento a la electrónica de semiconductores por sus grandes aplicaciones en el desarrollo de los sistemas electrónicos, informáticos y en el campo de la biomedicina entre otros, debido a su fácil miniaturización y posibilidad de formar puertas lógicas de tamaños inferiores a 10 nanómetros. Los imanes moleculares presentan un ordenamiento magnético a nivel molecular en vez de los sistemas tridimensionales comunes. Estas moléculas pueden presentar ordenamiento magnético permanente o histéresis. El fenómeno del magnetismo se debe a estados fundamentales de alto spin y a la anisotropía magnética de estos compuestos. En nuestro caso, vamos a estudiar diversas moléculas consideradas imanes moleculares como son los Polioxometalatos (POMs), ftalocianinas de doble capa [1], anillos de Cr7Ni[2] y así como las distintas moléculas que puedan ser sintetizadas durante el tiempo que dure este proyecto y presenten características de imán molecular. Cabe destacar la importancia que adquieren los POMs, debido a la estrecha colaboración existente con el grupo de Eugenio Coronado de la Universidad de Valencia, tomando importancia las moléculas sintetizadas en el Instituto de Ciencia Molecular ICMOL. Además, también existen colaboraciones con químicos españoles como son Jaume Veciana y Tomás Torres. Los POMs son óxidos metálicos formados por condensación de compuestos de coordinación, que forman estructuras estables perfectamente de- --finidas. Los POMs adquieren propiedades de imanes moleculares, cuando el átomo central que se encuentra en el centro de la estructura es un elemento de transición, más concretamente un lantánido como son el Disprosio y el Erbio [3]. Los POMs formados con estos metales presentan un bloqueo de su momento magnético a temperaturas cercanas a los 5K, por

The conductance across an atomically narrow metallic contact can be measured by using scanning tunneling microscopy. In certain situations, a jump in the conductance is observed right at the point of contact between the tip and the surface, which is known as “jump to contact” (JC). Such behavior provides a way to explore, at a fundamental level, how bonding between metallic atoms occurs dynamically. This phenomenon depends not only on the type of metal but also on the geometry of the two electrodes. For example, while some authors always find JC when approaching two atomically sharp tips of Cu, others find that a smooth transition occurs when approaching a Cu tip to an adatom on a flat surface of Cu. In an attempt to show that all these results are consistent, we make use of atomistic simulations; in particular, classical molecular dynamics together with density functional theory transport calculations to explore a number of possible scenarios. Simulations are performed for two different materials: Cu and Au in a [100] crystal orientation and at a temperature of 4.2 K. These simulations allow us to study the contribution of short- and long-range interactions to the process of bonding between metallic atoms, as well as to compare directly with experimental measurements of conductance, giving a plausible explanation for the different experimental observations. Moreover, we show a correlation between the cohesive energy of the metal, its Young's modulus, and the frequency of occurrence of a jump to contact.

This experimental work aims at probing current-induced forces at the atomic scale. Specifically it addresses predictions in recent work regarding the appearance of run-away modes as a result of a combined effect of the non-conservative wind force and a ‘Berry force’. The systems we consider here are atomic chains of Au and Pt atoms, for which we investigate the distribution of break down voltage values. We observe two distinct modes of breaking for Au atomic chains. The breaking at high voltage appears to behave as expected for regular break down by thermal excitation due to Joule heating. However, there is a low-voltage breaking mode that has characteristics expected for the mechanism of current-induced forces. Although a full comparison would require more detailed information on the individual atomic configurations, the systems we consider are very similar to those considered in recent model calculations and the comparison between experiment and theory is very encouraging for the interpretation we propose.

The formation and rupture of atomic-sized contacts is modelled by means of molecular dynamics simulations. Such nano-contacts are realized in scanning tunnelling microscope and mechanically controlled break junction experiments. These instruments routinely measure the conductance across the nano-sized electrodes as they are brought into contact and separated, permitting conductance traces to be recorded that are plots of conductance versus the distance between the electrodes. One interesting feature of the conductance traces is that for some metals and geometric configurations a jump in the value of the conductance is observed right before contact between the electrodes, a phenomenon known as jump-to-contact. This paper considers, from a computational point of view, the dynamics of contact between two gold nano-electrodes. Repeated indentation of the two surfaces on each other is performed in two crystallographic orientations of face-centred cubic gold, namely (001) and (111). Ultimately, the intention is to identify the structures at the atomic level at the moment of first contact between the surfaces, since the value of the conductance is related to the minimum cross-section in the contact region. Conductance values obtained in this way are determined using first principles electronic transport calculations, with atomic configurations taken from the molecular dynamics simulations serving as input structures.

The hybrid structure of Fe2O3 nanoparticles/TiO2 nanofibers (NFs), combines the merits of large surface areas of TiO2 NFs and absorption in ultraviolet light–visible light range. This structure can be used for many applications such as photoelectrochemical water splitting and photo-catalysis. Here, a sol-flame method is used for depositing Fe2O3 on TiO2 NFs that were prepared by hydrothermal on Ti sheets. The obtained materials were characterized by XRD, SEM, UV/Vis diffuse reflectance, Raman, and XPS. The results revealed the formation of rutile and anatase crystalline phases together with Fe2O3. This process moves the absorption threshold of TiO2 NFs support into visible spectrum range and enhances the photocurrent in comparison to bare TiO2 NFs, although no hole scavenger was used. The impedance measurement at low and high frequencies revealed an increase in series resistance and a decrease in resistance of charge transfer with sol-flame treatment time. A mechanism for explaining the charge transfer in these TiO2 NFs decorated with Fe2O3 nanoparticles was proposed.

The electronic gap structure of the organic molecule N,N′-diphenyl-N,N′-bis(3-methylphenyl)-(1,1′-biphenyl)-4,4′-diamine, also known as TPD, has been studied by means of a Scanning Tunneling Microscope (STM) and by Photoluminescence (PL) analysis. Hundreds of current-voltage characteristics measured at different spots of the sample show the typical behavior of a semiconductor. The analysis of the curves allows to construct a gap distribution histogram which reassembles the PL spectrum of this compound. This analysis demonstrates that STM can give relevant information, not only related to the expected value of a semiconductor gap but also on its distribution which affects its physical properties such as its PL.

We report electrical conductance measurements of Bi nanocontacts created by repeated tip-surface indentation using a scanning tunneling microscope at temperatures of 4 and 300 K. As a function of the elongation of the nanocontact, we measure robust, tens of nanometers long plateaus of conductance G0=2e2/h at room temperature. This observation can be accounted for by the mechanical exfoliation of a Bi(111) bilayer, a predicted quantum spin Hall (QSH) insulator, in the retracing process following a tip-surface contact. The formation of the bilayer is further supported by the additional observation of conductance steps below G0 before breakup at both temperatures. Our finding provides the first experimental evidence of the possibility of mechanical exfoliation of Bi bilayers, the existence of the QSH phase in a two-dimensional crystal, and, most importantly, the observation of the QSH phase at room temperature.

We have studied experimentally jump-to-contact (JC) and jump-out-of-contact (JOC) phenomena in gold electrodes. JC can be observed at first contact when two metals approach each other, while JOC occurs in the last contact before breaking. When the indentation depth between the electrodes is limited to a certain value of conductance, a highly reproducible behaviour in the evolution of the conductance can be obtained for hundreds of cycles of formation and rupture. Molecular dynamics simulations of this process show how the two metallic electrodes are shaped into tips of a well-defined crystallographic structure formed through a mechanical annealing mechanism. We report a detailed analysis of the atomic configurations obtained before contact and rupture of these stable structures and obtained their conductance using first-principles quantum transport calculations. These results help us understand the values of conductance obtained experimentally in the JC and JOC phenomena and improve our understanding of atomic-sized contacts and the evolution of their structural characteristics.

Atomic contacts made of ferromagnetic metals present zero-bias anomalies in the differential conductance due to the Kondo effect. These systems provide a unique opportunity to perform a statistical analysis of the Kondo parameters in nanostructures since a large number of contacts can be easily fabricated using break-junction techniques. The details of the atomic structure differ from one contact to another so a large number of different configurations can be statistically analyzed. Here we present such a statistical analysis of the Kondo effect in atomic contacts made from the ferromagnetic transition metals Ni, Co, and Fe. Our analysis shows clear differences between materials that can be understood by fundamental theoretical considerations. This combination of experiments and theory allows us to extract information about the origin and nature of the Kondo effect in these systems and to explore the influence of geometry and valence in the Kondo screening of atomic-sized nanostructures.

The process of creating an atomically defined and robust metallic tip is described and quantified using measurements of contact conductance between gold electrodes and numerical simulations. Our experiments show how the same conductance behavior can be obtained for hundreds of cycles of formation and rupture of the nanocontact by limiting the indentation depth between the two electrodes up to a conductance value of approximately 5G0 in the case of gold. This phenomenon is rationalized using molecular dynamics simulations together with density functional theory transport calculations which show how, after repeated indentations (mechanical annealing), the two metallic electrodes are shaped into tips of reproducible structure. These results provide a crucial insight into fundamental aspects relevant to nanotribology or scanning probe microscopies.

Aunque en la actualidad la titulación de Grado en Física no está incluida en la oferta de la Facultad de Ciencias de la Universidad de Alicante, se ha considerado importante elaborar su plan de estudios. Toda institución moderna que pretenda desarrollar una labor educativa e investigadora de excelencia en Ciencias, debe incluir todas las disciplinas científicas básicas. Y es la Física, la única de las disciplinas de las Ciencias básicas que no se oferta en la Universidad de Alicante es la Física. Además, la implantación de este título sería a coste cero, dada la disponibilidad de profesorado para ello. En la Facultad de Ciencias se ha realizado un trabajo de coordinación de modo que el primer curso de los diferentes títulos presenta una estructura similar que permite el reconocimiento de todos los créditos cursados al alumno que desee cambiar de título al finalizar el primer curso. Asimismo, El plan elaborado compartiría hasta un 40% de sus créditos con el grado de Matemáticas. En primer lugar, se justifica el interés científico y profesional de este título. A continuación se establece el marco teórico en el que se definen sus objetivos, sus competencias específicas y genéricas y su estructura general. En particular se discuten diversos aspectos tales como la demanda del título e interés para la sociedad, el contexto académico y socioeconómico local y los diferentes referentes nacionales e internacionales en los que se basa el plan. La estructura propuesta, aún siendo generalista permite una amplia optatividad. Consta de un Trabajo de Fin de Grado de 18 créditos y de un sistema flexible de prácticas externas optativas que permite realizar parte de este Trabajo de Fin de Grado en una empresa o institución.