Modelización de las propiedades radiativas e interacción de láseres ultraintensos con la materia

Desde el año 2004 el código ARWEN ha sido utilizado con éxito para simular y diseñar experimentos relacionados con blancos para fusión por confinamiento inercial [146], astrofísica de laboratorio [145], plasmas como amplificadores de láseres de rayos X [107] o plasmas creados por láser para la medición de espectros de transmisión. Para la realización de estas simulaciones es necesario, además de métodos de alto orden precisos y que presenten buenas propiedades conservativas, conocer ciertas propiedades de los plasmas. En el caso de la fluidodinámica y la conducción electrónica necesitaremos conocer la ecuación de estado [94, 49, 36], y para el transporte de la radiación será preciso disponer de los datos de absorción y emisión [104, 95, 40]. Hasta el año 2009 ARWEN dependía de códigos externos para la generación de estas tablas de opacidad, careciendo de control sobre los métodos empleados para su generación. Además estos códigos asumían equilibrio local termodinámico (LTE), limitando su validez a rangos de alta densidad y baja temperatura. En el marco de esta tesis se ha desarrollado el código BIGBART para la generación de tablas detalladas de opacidad y emisividad para su uso en el módulo de transporte de radiación. De esta forma el grupo dispondrá de su propia herramienta de generación de propiedades radiativas. El código desarrollado es capaz de tratar plasmas en estado fuera de equilibrio (non-LTE) mediante el modelo colisional-radiativo, extendiendo así el rango de validez de las tablas generadas. El trabajo desarrollado para implementar un código LTE/non-LTE estacionario es el siguiente Cálculo de estructura y datos atómicos. Se ha acoplado en código FAC a BIGBART, incorporando la capacidad para generar potenciales atómicos para una configuración y el cálculo de funciones de onda de electrones en orbitales ligados y libres. Aproximaciones y métodos para la obtención de tasas y secciones eficaces de procesos. Se han incluido y programado los modelos implementados en FAC para el cálculo de secciones eficaces de fotoionización, y tasas de decaimiento de emisión espontánea y autoionización. Además se ha incluido el modelo Plane-Wave Born (PWBA) para el cálculo de las secciones eficaces de ionización y excitación colisional. Modelos para la obtención de la distribución de estados iónicos dentro del plasma. Se ha programado un solver LTE basado en la ecuación de Saha-Boltzmann con efectos de ionización por presión debida a los iones adyacentes. También se ha implementado un modelo non-LTE colisionalradiativo para la resolución del sistema de ecuaciones que nos permite obtener la densidad de estados iónicos fuera de equilibrio. Modelo non-LTE RADIOM. Se ha implementado el modelo RADIOM para aproximar efectos de no-equilibrio mediante cálculos LTE a una temperatura equivalente, menor o igual que la temperatura electrónica real. Cálculo de las propiedades espectrales de absorción y emisión. Se han implementado los modelos para el cálculo de los perfiles espectrales de absorción y emisión para procesos entre niveles ligados, ligado-libre y librelibre. Aprovechando el trabajo realizado en este sentido, durante el transcurso de esta tesis se amplió el código BIGBART para tratar problemas con dependencia temporal. La extensión para tratar este tipo de problemas se orientó a la simulación numérica de la interacción de láseres ultra intensos en el rango XUV/rayos X. Para ello, además de adaptar el modelo non-LTE colisionalradiativo se incluyeron procesos adicionales asociados a la interacción de la materia con fotones altamente energéticos. También se han incluido modelos para el cálculo de las propiedades ópticas, y por ende las propiedades dieléctricas de la materia irradiada, de gran interés en algunas aplicaciones novedosas de estos láseres intensos. Debido a la naturaleza fuertemente fuera de equilibrio en la interacción de fotones de alta energía con la materia, se incluyó el tratamiento de la distribución de electrones libres fuera de equilibrio en la aproximación de Fokker-Planck, tanto para condiciones degeneradas como no degeneradas. El trabajo desarrollado en el código non-LTE con dependencia temporal es el siguiente Procesos asociados a láseres intensos XUV/rayos X. Se ha implementado el cálculo de procesos radiativos estimulados de absorción y emisión por el láser. También se han incluido procesos asociados a la creación de vacantes en capas internas electrónicas (Shake), además de doble autoionización y doble fotoionización. Cálculo de propiedades ópticas y dieléctricas en blancos sólidos. Se ha implementado un modelo para la absorción por bremsstrahlung inverso en blancos en estado sólido. Con el coeficiente de extinción debido a procesos de fotoabsorción resonante, fotoionización y bremsstrahlung inverso se obtiene el ´ındice de refracción mediante la relación de Kronig-Kramers. Electrones fuera de equilibrio. Se ha tratado la evolución de la distribución de electrones, cuando no está justificado asumir que es Maxwelliana o de Fermi-Dirac, mediante la aproximación de Fokker-Planck para la colisión entre electrones libres. En la resolución de la ecuación de Fokker-Planck se han incluido los procesos inelásticos por colisiones con iones y términos fuente por interacción con el láser y otros procesos. ABSTRACT Since 2004 the ARWEN code has been successfully used to simulate and design targets for inertial confinement fusion experiments [146], laboratory astrophysics [145], plasmas as X-ray lasers amplifiers [107] or laser created plasmas for measuring transmission spectra. To perform these simulations it is necessary, in addition to high order precise methods with good conservative properties, to know certain properties of plasmas. For fluid dynamic and electronic conduction we need to know the equation of state [94, 49, 36], and for radiation transport it will be necessary to have the data of the absorption and emission [104, 95, 40]. Until 2009 ARWEN depended on external codes to generate these opacity tables, lacking of control over the methods used for their generation. Besides, these codes assumed local thermodynamic equilibrium (LTE), limiting their validity ranges to high densities and low temperatures. As part of this thesis it has been developed the BIGBART code for generating detailed opacity and emissivity tables for use in the radiation transport module. This group will have its own tool for the generation of radiative properties. The developed code is capable of treating plasmas out of equilibrium (non-LTE) by means of a collisional-radiative model, extending the range of validity of the generated tables. The work to implement an LTE/non-LTE steady-state code is as follows Calculation of structure and atomic data. the FAC code was coupled to BIGBART, incorporating the ability to generate atomic potentials for calculating configuration wave functions for bound and free electrons. Approaches and methods for obtaining cross sections and processes rates. We have included and reprogrammed in Fortran the models implemented in FAC for calculation of photoionization cross sections and decay rates of spontaneous emission and autoionization. We also included the Plane- Wave Born (PWBA) model to calculate the cross sections of ionization and collisional excitation. Models for the obtention of the distribution of ionic states within the plasma. We programmed a LTE solver based on the Saha-Boltzmann equation with pressure ionization effects due to adjacent ions. It has also been implemented a non-LTE collisional-radiative model for solving the system of equations that allows us to obtain the density of ionic states out of equilibrium. Non-LTE RADIOM model. We have implemented the non-LTE RADIOM model to approximate non-equilibrium effects with LTE data at an equivalent temperature, lower or equal to the actual electronic temperature. Calculation of the spectral absorption and emission properties. Models have been implemented for the calculation of the spectral profiles of absorption and emission processes between bound levels, free-bound and free-free. Taking advantage of the work done in this direction throughout the course of this thesis the code BIGBART was extended to treat time-dependent problems. The extension to treat such problems is oriented to the numerical simulation of the interaction of ultra intense lasers in the XUV/X-ray range. For this range, in addition to adapting the non-LTE collisional-radiative model, additional processes associated with the interaction of matter with high energy photons. We also included models for calculation of the optical properties, and therefore the dielectric properties of the irradiated material, of great interest in some novel applications of these intense lasers. Due to the strong non-equilibrium nature of the interaction of high energy photons with matter, we included the treatment of the distribution of free electrons out of equilibrium in the Fokker-Planck approximation for both degenerate and non-degenerate conditions. The work in the non-LTE time-dependent code is as follows Processes associated with intense XUV/X-ray lasers. We have implemented the calculation of stimulated radiative processes in absorption and emission. Also we included processes associated with the creation of electronic vacancies in inner shells (Shake), double autoionization and double photoionization. Calculation of optical and dielectric properties in solid targets. We have implemented a model for inverse bremsstrahlung absorption in solid targets. With the extinction coefficient from resonant photoabsorption, photoionization and inverse bremsstrahlung the refractive index is obtained by the Kramers-Kronig relation. Electrons out of equilibrium. We treat the evolution of the electron distribution, when it is not justified to assume a Maxwellian or Fermi-Dirac distribution, by the Fokker-Planck approximation for collisions between electrons. When solving the Fokker-Planck equation we included inelastic collision processes with ions and source terms by interaction with the laser and other processes.

Análisis de la distribución espacial de los parámetros acústicos en recintos

El principal objetivo de este estudio es la evaluación de la distribución espacial de los parámetros acústicos en un recinto a través de la aplicación de técnicas geoestadísticas como el método Kriging. Mediante el uso de la herramienta de análisis espacial ArcMap, perteneciente a la plataforma ArcGIS, se ha analizado el comportamiento acústico del Salón de Actos común a la Escuela Técnica Superior de Ingeniería y Sistemas de Telecomunicación (ETSIST) y la Escuela Técnica Superior de Ingeniería de Sistemas Informáticos (ETSISI), ambas situadas en el Campus Sur de la Universidad Politécnica de Madrid. Se han realizado mediciones in-situ del recinto no ocupado utilizando la herramienta de medición DIRAC Room Acoustics y el método de la respuesta impulsiva integrada, extrayéndose los parámetros acústicos de tiempo de reverberación (RT), tiempo de reverberación inicial (EDT), fuerza sonora relativa (Grel), claridad (C80), tiempo central (Ts), definición (D50) e Índice de Transmisión Rápida de la Palabra (RASTI). Se ha analizado la adecuación de los valores observados de Grel, C80 y Ts al modelo teórico de Barron y estimado, mediante el método Kriging Ordinario, el conjunto de parámetros medidos en el recinto, obteniéndose los semivariograma y mapas de estimación correspondientes. Además, se ha evaluado la calidad de la estimación en base a un número de puntos de medición reducido. A la vista de los resultados obtenidos, en general, el método Kriging puede considerarse un buen interpolador de los parámetros acústicos en un recinto, observándose que los parámetros que evalúan relaciones energéticas, especialmente la fuerza sonora relativa (Grel) proporcionan mejores estimaciones en comparación con aquellos relacionados con la reverberación y la inteligibilidad del habla. El coeficiente de determinación (R2) constituye una medida útil para evaluar la precisión de la estimación. Además, la entropía de los datos observados puede ser un buen indicador a priori de la precisión de la estimación. Asimismo, se ha demostrado que, basándose en un reducido número de puntos de medición, es posible obtener una estimación precisa de los parámetros acústicos de fuerza sonora relativa (Grel) y tiempo central (Ts). ABSTRACT. This project aims to evaluate the feasibility of using geostatistical techniques such as Kriging on the analysis of the spatial distribution of the acoustic parameters in rooms. The acoustic behaviour of the Assembly Hall of the ETSIST and ETSISI (Universidad Politécnica de Madrid) is investigated using ArcMap, which is the main component of ArcGIS suite of geospatial processing programs. For this purpose, in-situ acoustic measurements are carried out in the unoccupied room using DIRAC Room Acoustics software. The following acoustic parameters are measured by means of the integrated impulse response method for further examination: Reverberation Time (RT), Early Decay Time (EDT), Relative Strength (Grel), Clarity (C80), Centre Time (Ts), Definition (D50) and Rapid Speech Transmission Index (RASTI). Goodness-of-fit of measured Grel, C80 and Ts values to Barron’s theory is determined and Ordinary Kriging is applied to all the measured parameters in order to calculate the semivariogram and prediction surfaces. The prediction performance is also analysed when significantly fewer receiver positions are used for the prediction. The experimental results obtained lead to conclude that Kriging can be successfully applied to room acoustics. Energy\based acoustic parameters can be estimated with higher accuracy compared to those related to reverberation and speech intelligibility. Coefficient of determination (R2) is a reliable statistic for assessing the prediction accuracy, for which measured data entropy can also be a good a priori indicator. Furthermore, based on fewer receiver positions, it is demonstrated that accurate predictions of Grel and Ts can be achieved.

Estudio acústico y electroacústico de la sala 5 de los cines Kinépolis de Madrid

En el proyecto se realiza el estudio del comportamiento acústico y electroacústico de la sala 5 de los cines Kinépolis de Madrid. El objetivo es determinar las características acústicas de la sala mediante la realización de las medidas in-situ para después analizar y simular la misma con EASE4.4, realizar una sonorización apropiada para reproducción de cine, valorar la sala actual y proponer algunas mejoras. El desarrollo del proyecto se ha dividido en tres partes. En primer lugar, se realizan las medidas espaciales y acústicas in-situ con el programa de toma de medidas Dirac 5.5. En este paso, se obtienen las medidas reales (usadas en la simulación 3D posterior) y los dos parámetros acústicos importantes inherentes a la sala, el tiempo de reverberación y el ruido de fondo. Además, se estudia el conexionado de altavoces y de los equipos instalados en sala. En segundo lugar, se hace la simulación de la sala, para ello se realiza su diseño con el programa de simulación acústica EASE 4.4, con el que se ajustan las condiciones de campo a las existentes en Kinépolis, asegurando que el comportamiento acústico de la sala simulada sea similar al real. También se distribuirá el sistema electroacústico con la descripción del conexionado y la configuración de los altavoces. En la simulación, durante el estudio acústico, además de desarrollar el dimensionado del recinto, se ajustan los materiales de tal manera que el tiempo de reverberación sea el de la sala de estudio considerando también el ruido de fondo. En cuanto al estudio electroacústico, se distribuyen los altavoces en las posiciones medidas in-situ de la instalación y se detalla su conexionado. De esta manera, se realizan los cálculos para ajustar sus respuestas para proporcionar un recubrimiento sonoro uniforme y el efecto precedencia desde la zona frontal al oyente deseado. Finalmente, y a partir de los datos obtenidos en la simulación, se hace una valoración a través de diversos criterios de inteligibilidad, se extraen las conclusiones del estudio y se proponen una serie de mejoras en la sala real para obtener unas prestaciones sonoras óptimas. Se consigue con el proyecto, tras el aprendizaje de las herramientas específicas utilizadas, la recopilación de documentación y el análisis de datos de la sala, aplicar los conceptos teóricos de manera práctica a un caso real. ABSTRACT. During the project is carried out the acoustic and electroacoustic study of the room cinema 5 of the Kinépolis group in Madrid. The objective is to determine the acoustic characteristics of the room by performing the in-situ measurements in order to analyze and simulate it with the software EASE 4.4 making an appropriate sound for movie playback, assess the current room, and propose some improvements. Development of the project is composed of three parts. First, the performing of the spatial and acoustic in-situ measurements with the program Dirac 5.5. On this step, the real measures are obtained (that will be used on the next 3D simulation) and the two important parameters inherent to the room, the reverberation time and the noise level. In addition, the speaker connections and the installations of the cinema’s equipment are studied. Secondly, the simulation of the room cinema is performed. This simulation is done with the acoustic simulation program EASE 4.4 in which its field conditions conform to the conditions of Kinépolis, ensuring that the acoustic behavior of the simulated room is similar to the real room. Also, the electroacustic system is distributed with the wiring and the speaker setup. During the acoustic study of the simulation, in addition to do the dimensions of the cinema room, the materials are adjusted in order to synchronize reverberation time to that of the real room. The noise level is taking in account too. For the electroacustic studio, the speakers will be distributed in the positions measured in-situ to do the installation and its detailed connection. By this way, the calculations are done to adjust to the responses in a way to give a sound uniform coating with the precedence effect desired on the front area of the listeners. Lastly, and from the data obtained in the simulation, an assessment is done through the various criteria of intelligibility, conclusions are drawn from the study and a number of improvements are proposed in the actual room for obtain optimal sound benefits. With this project is achieved, after gain learning of the specific tolls used, the documentation collected and the data analysis of the room, to apply theoretical concepts in a practical way for a real case.

Estudio acústico de la sala 8 de los cines Kinépolis de Ciudad de la Imagen

Este proyecto consistira en la realization de un estudio aciistico sobre la sala 8 de los cines Kinepolis de Ciudad de la Imagen, que dispone de 408 butacas. Los cines Kinepolis es uno de los mayores complejos multisala de Europa. Cuenta con mas de 9.200 butacas en total distribuidas en 25 salas a las que se accede mediante dos grandes pasillos conectados por el hall. En 1998, ano de su apertura, el complejo recibio el Record Guinness a la sala cinematografica mas grande del mundo, que dispone de 996 butacas. El objetivo de este proyecto es conseguir caracterizar acusticamente una sala de cine a traves de la medicion de parametros acusticos de la sala y de un modelo virtual de la misma. Para llevar a cabo el proyecto, primero se van a realizar tanto una medicion geometrica como acustica de la sala mediante el sistema de medida DIRAC. Los resultados de estas mediciones nos serviran para construir y validar un modelo virtual de la sala real con el software de simulacion EASE. La medicion acustica se va a realizar con el sistema de medicion DIRAC. Este sistema nos dara information sobre una amplia variedad de parametros acusticos. En este proyecto no se va a trabajar con todos ellos, solo con los mas significativos. Estos se describen a continuacion en la introduccion teorica. La medicion geometrica nos va a servir para construir un modelo virtual que tenga las mismas dimensiones que la sala original. Esta medicion la realizaremos mediante un medidor laser y una cinta metrica. Una vez construido el modelo virtual, se procedera a su validacion. Este proceso se realiza ajustando el tiempo de reverberacion del modelo mediante la introduccion de distintos materiales acusticos en las superficies del mismo, de manera que, variando la absorcion de la sala, el tiempo de reverberacion promedio del modelo se asemeje lo mas posible al medido en la sala real. Este proceso tiene como objetivo comprobar que el modelo virtual tiene un comportamiento acustico similar al de la sala real. Es necesario validar adecuadamente el modelo para que las comparaciones y conclusiones sean fiables. Por ultimo, tras la simulacion acustica del modelo, se compararan los resultados simulados con los medidos en la sala. En este proceso se contrastaran algunos de los parametros que guardan relation con el tiempo de reverberacion. De esta manera se verificara si el tiempo de reverberacion es o no un parametro acustico fiable para la validacion de un modelo virtual de una sala de cine. Anteriormente se han realizado proyectos iguales de otras salas de diferente tamano de Kinepolis. El objetivo de realizar el mismo estudio en distintas salas, es comprobar si el tamano de la sala influye en la validacion de los modelos virtuales mediante el tiempo de reverberacion. ABSTRACT. This Project consists on the development of an acoustic research of the movie theater 8 of the Kinepolis complex in Ciudad de la Imagen, Madrid. This room has 408 spots. Kinepolis is one of the biggest multiplex complexes in Europe. It has 9,200 locations disposed in 25 rooms. There are two large corridors which give access to all of theaters. In the middle of the structure, there is the main hall that connects these corridors. In 1998, at the time when the complex was open, it was awarded with the Record Guinness for the biggest theater in the world, which has 996 locations. The target of this project is to successfully characterize the acoustics of a movie theater through reverberation time and a virtual model. In order to reach this goal, in the first place, we are going to perform both, an acoustic and a geometric measurement of the room using DIRAC measurement system. The results of these measures will allow us to build and validate a virtual model of the room, using the simulation software EASE. We are going to use the DIRAC system in order to accomplish the acoustic measure. This operation gives us a huge variety of acoustic parameters. Not all of these are going to be used for this research, only the most significant ones. These are described in the theoretical introduction. The geometric measure is essential to help us to build the virtual model, because the model has to be exactly equal as the real room. This measurement will be performed with an electronic distance meter and a measuring tape. Once the virtual model is finished, it will be proved. This validation process will be realized by adjusting the reverberation time in the model. We will change the walls materials, therefore, the overall absorption of the room will change. We want the model reverberation time resemble to the real one. This practice is going to ensure that the model acoustic performance is close to the real one. In addition, it has to be successfully validate of we want the future comparisons to be reliable. Finally, after the model virtual simulation, we will compare the simulated results with the measure in the room. In this process, we will compare not only the reverberation time, but others parameters that keep relation with the reverberation time. We will verify this way, if the reverberation time is or is not an appropriate acoustic parameter to validate a virtual model of a movie theater. There have been done others similar acoustic researches in different theaters with different sizes. The aim of performing similar researches in different rooms is to determine if the size of the room infers in the validation process.

Estudio acústico de la sala de control de los estudios de grabación Sadman

En este proyecto se ha realizado el estudio del campo acústico de un estudio de grabación, en concreto el estudio de grabación “Sadman”, situado en Madrid. El estudio viene motivado por una serie de problemas de resonancia en frecuencias graves de la sala de control del estudio, lo cual genera algunas alteraciones desagradables cuando se realiza una escucha por el sistema de altavoces en dicha sala. Además de estudiar este problema, se han estudiado otros parámetros acústicos para poder plantear, si fuese necesario, posibles mejoras que faciliten las labores que se realizan en la sala. Para realizar tanto el estudio del campo acústico de la sala como su modelado se han utilizado herramientas tales como AutoCAD, Ease, Dirac y Spectraplus. Palabras clave: Acústica, modos de vibración, frecuencia, resonancia, Dirac, Ease, AutoCAD, Spectraplus, absorbente, difusor. ABSTRACT. The present project is aimed to study the acoustics of a recording studio. A report on "Sadman Studios" located in Madrid. The investigation was made due to a low frequency vibration problem on the control room that generated undesirable acoustic disturbances when the main monitoring system was running. Apart from the modal frequencies problem, several acoustic parameters have been submitted to investigation in case improvements in the acoustic field needed to be implemented, if required. System tools like AutoCAD, Ease, Dirac and Spectraplus were used to properly understand and reflect the issues we were faced with under the investigation of the within matter.

Propriedades de continuação única para soluções de equações de Schrödinger com ponto de interação

Neste trabalho, estudamos propriedades de continuação única para as soluções da equação tipo Schrödinger com um ponto interação centrado em x=0, \\partial_tu=i(\\Delta_Z+V)u, onde V=V(x,t) é uma função de valor real e -\\Delta_Z é o operador escrito formalmente como \\[-\\Delta_Z=-\\frac\\frac{d^2}{dx^2}+Z\\delta_0,\\] sendo \\delta_0 a delta de Dirac centrada em zero e Z qualquer número real. Logo, usamos estes resultados para ver o possível fenômeno de concentração das soluções, que explodem, da equação de tipo Schrödinger não linear com um ponto de interação em x=0, \\[\\partial_tu=i(\\Delta_Zu+|u|^u),\\] com ho>5. Também, mostramos que para certas condições sobre o potencial dependente do tempo V, a equação linear em cima tem soluções não triviais.

Subband energy in two-band δ-doped semiconductors

We study electron dynamics in a two-band δ-doped semiconductor within the envelope-function approximation. Using a simple parametrization of the confining potential arising from the ionized donors in the δ -doping layer, we are able to find exact solutions of the Dirac-type equation describing the coupling of host bands. As an application we then consider Si δ -doped GaAs. In particular we find that the ground subband energy scales as a power law of the Si concentration per unit area in a wide range of doping levels. In addition, the coupling of host bands leads to a depression of the subband energy due to nonparabolicity effects.

Quantum simulation of a topological Mott insulator with Rydberg atoms in a Lieb lattice

We propose a realistic scheme to quantum simulate the so-far experimentally unobserved topological Mott insulator phase-an interaction-driven topological insulator-using cold atoms in an optical Lieb lattice. To this end, we study a system of spinless fermions in a Lieb lattice, exhibiting repulsive nearest-and next-to-nearest-neighbor interactions and derive the associated zero-temperature phase diagram within mean-field approximation. In particular, we analyze how the interactions can dynamically generate a charge density wave ordered, a nematic, and a topologically nontrivial quantum anomalous Hall phase. We characterize the topology of the different phases by the Chern number and discuss the possibility of phase coexistence. Based on the identified phases, we propose a realistic implementation of this model using cold Rydberg-dressed atoms in an optical lattice. The scheme, which allows one to access, in particular, the topological Mott insulator phase, robustly and independently of its exact position in parameter space, merely requires global, always-on off-resonant laser coupling to Rydberg states and is feasible with state-of-the-art experimental techniques that have already been demonstrated in the laboratory.

Anisotropic exchange interaction induced by a single photon in semiconductor microcavities

We investigate coupling of localized spins in a semiconductor quantum dot embedded in a microcavity. The lowest cavity mode and the quantum dot exciton are coupled and close in energy, forming a polariton. The fermions forming the exciton interact with localized spins via exchange. Exact diagonalization of a Hamiltonian in which photons, spins, and excitons are treated quantum mechanically shows that a single polariton induces a sizable indirect anisotropic exchange interaction between spins. At sufficiently low temperatures strong ferromagnetic correlations show up without an appreciable increase in exciton population. In the case of a (Cd,Mn)Te quantum dot, Mn-Mn ferromagnetic coupling is still significant at 1 K: spin-spin correlation around 3 for exciton occupation smaller than 0.3. We find that the interaction mediated by photon-polaritons is 10 times stronger than the one induced by a classical field for equal Rabi splitting.

Colossal anisotropy in diluted magnetic topological insulators

We consider dilute magnetic doping in the surface of a three dimensional topological insulator where a two dimensional Dirac electron gas resides. We find that exchange coupling between magnetic atoms and the Dirac electrons has a strong and peculiar effect on both. First, the exchange-induced single ion magnetic anisotropy is very large and favors off-plane orientation. In the case of a ferromagnetically ordered phase, we find a colossal magnetic anisotropy energy, of the order of the critical temperature. Second, a persistent electronic current circulates around the magnetic atom and, in the case of a ferromagnetic phase, around the edges of the surface.

Efficient intrinsic spin relaxation in graphene due to flexural distortions

We propose an intrinsic spin scattering mechanism in graphene originated by the interplay of atomic spin-orbit interaction and the local curvature induced by flexural distortions of the atomic lattice. Starting from a multiorbital tight-binding Hamiltonian with spin-orbit coupling considered non-perturbatively, we derive an effective Hamiltonian for the spin scattering of the Dirac electrons due to flexural distortions. We compute the spin lifetime due to both flexural phonons and ripples and we find values in the 1-10 ns range at room temperature. The proposed mechanism dominates the spin relaxation in high mobility graphene samples and should also apply to other planar aromatic compounds.

Anisotropic intrinsic spin relaxation in graphene due to flexural distortions

We propose an intrinsic spin scattering mechanism in graphene originated by the interplay of atomic spin-orbit interaction and the local curvature induced by flexural distortions of the atomic lattice. Starting from a multiorbital tight-binding Hamiltonian with spin-orbit coupling considered nonperturbatively, we derive an effective Hamiltonian for the spin scattering of the Dirac electrons due to flexural distortions. We compute the spin lifetime due to both flexural phonons and ripples and we find values in the microsecond range at room temperature. Interestingly, this mechanism is anisotropic on two counts. First, the relaxation rate is different for off-plane and in-plane spin quantization axis. Second, the spin relaxation rate depends on the angle formed by the crystal momentum with the carbon-carbon bond. In addition, the spin lifetime is also valley dependent. The proposed mechanism sets an upper limit for spin lifetimes in graphene and will be relevant when samples of high quality can be fabricated free of extrinsic sources of spin relaxation.

Role of potassium orbitals in the metallic behavior of K3picene

Detailed electronic structure calculations of picene clusters doped by potassium modeling the crystalline K3picene structure show that while two electrons are completely transferred from potassium atoms to the lowest-energy unoccupied molecular orbital of pristine picene, the third one remains closely attached to both material components. Multiconfigurational analysis is necessary to show that many structures of almost degenerate total energies compete to define the cluster ground state. Our results prove that the 4s orbital of potassium should be included in any interaction model describing the material. We propose a quarter-filled two-orbital model as the most simple model capable of describing the electronic structure of K-intercalated picene. Precise solutions obtained by a development of the Lanczos method show low-energy electronic excitations involving orbitals located at different positions. Consequently, metallic transport is possible in spite of the clear dominance of interaction over hopping.

Quantum anomalous Hall effect in graphene coupled to skyrmions

Skyrmions are topologically protected spin textures, characterized by a topological winding number N, that occur spontaneously in some magnetic materials. Recent experiments have demonstrated the capability to grow graphene on top Fe/Ir, a system that exhibits a two-dimensional skyrmion lattice. Here we show that a weak exchange coupling between the Dirac electrons in graphene and a two-dimensional skyrmion lattice withN = ±1 drives graphene into a quantum anomalous Hall phase, with a band gap in bulk, a Chern number C = 2N, and chiral edge states with perfect quantization of conductance G = 2N e2 h . Our findings imply that the topological properties of the skyrmion lattice can be imprinted in the Dirac electrons of graphene.

Orbital Magnetization of Quantum Spin Hall Insulator Nanoparticles

Both spin and orbital degrees of freedom contribute to the magnetic moment of isolated atoms. However, when inserted in crystals, atomic orbital moments are quenched because of the lack of rotational symmetry that protects them when isolated. Thus, the dominant contribution to the magnetization of magnetic materials comes from electronic spin. Here we show that nanoislands of quantum spin Hall insulators can host robust orbital edge magnetism whenever their highest occupied Kramers doublet is singly occupied, upgrading the spin edge current into a charge current. The resulting orbital magnetization scales linearly with size, outweighing the spin contribution for islands of a few nm in size. This linear scaling is specific of the Dirac edge states and very different from Schrodinger electrons in quantum rings. By modeling Bi(111) flakes, whose edge states have been recently observed, we show that orbital magnetization is robust with respect to disorder, thermal agitation, shape of the island, and crystallographic direction of the edges, reflecting its topological protection.