Theory for Optical Absorption in Small Clusters: Dependence on Atomic Structure and Cluster Size

We present a theory which permits for the first time a detailed analysis of the dependence of the absorption spectrum on atomic structure and cluster size. Thus, we determine the development of the collective excitations in small clusters and show that their broadening depends sensitively on the tomic structure, in particular at the surface. Results for Hg_n^+ clusters show that the plasmon energy is close to its jellium value in the case of spherical-like structures, but is in general between w_p/ \wurzel{3} and w_p/ \wurzel{2} for compact clusters. A particular success of our theory is the identification of the excitations contributing to the absorption peaks.

Unrestricted hartree-fock calculation of the ionization potential of small Hg_n clusters

The ionization potential of small Hg_n clusters has been calculated. For the first time good agreement with experimental results has been obtained. It is shown that interatomic Coulomb interactions are important. The energy of Hg_n^+ is calculated using the unrestricted inhomogeneous Hartree-Fock approximation. As a consequence of a change in the charge distribution in Hg_n^+ , we obtain an abrupt change in the slope of the ionization potential at the critical cluster size n_cr ~ 14. The presented results are expected to be valid for covalent clusters in between ionized van der Waals clusters and metallic clusters.

On the localization of electrons and holes in Hg_n and rare-gas clusters

We have used a microscopic theory to study the size dependence of the degree of localization of the valence electrons and holes in neutral an ionized rare-gas and Hg_n clusters. We discuss under which circumstances localization of the electrons and holes is favoured. We have calculated the ionization potential of Xe_n, Kr_n and small Hg_n clusters. Good agreement with experiments is obtained. We have also determined the dependence of the ionization potential on cluster structure.

Theory for the optical properties of small Hg_n clusters

The static and dynamical polarizabilities of the Hg-dimer are calculated by using a Hubbard Hamiltonian to describe the electronic structure. The Hamiltonian is diagonalized exactly within a subspace of second-quantized electronic states from which only multiply ionized atomic configurations have been excluded. With this approximation we can describe the most important electronic transitions including the effect of charge fluctuations. We analyze the polarizability as a function of the intraatomic Coulomb interaction which represents the repulsion between electrons. We obtain that this interaction results in strong electronic correlations in the excited states and increases the first excitation energy of the dimer by 0.8 eV in comparison to a calculation which neglects correlations, resulting in a better agreement with the experiment.

Electronic structure calculations of small AI_n (n = 2 - 8) clusters

The electronic states of small AI_n (n = 2 - 8) clusters have been calculated with a relativistic ab-initio MOLCAO Dirac-Fock-Slater method using numerical atomic DFS wave-functions. The excitation energies were obtained from a ground state calculation of neutral clusters, and in addition from negative clusters charged by half an electron in order to account for part of the relaxation. These energies are compared with experimental photoelectron spectra.

Time-resolved studies of neutral and ionized Na_n clusters with femtosecond light pulses

The real-time dynamics of Na_n (n=3-21) cluster multiphoton ionization and fragmentation has been studied in beam experiments applying femtosecond pump-probe techniques in combination with ion and electron spectroscopy. Three dimensional wave packet motions in the trimer Na_3 ground state X and excited state B have been observed. We report the first study of cluster properties (energy, bandwidth and lifetime of intermediate resonances Na_n^*) with femtosecond laser pulses. The observation of four absorption resonances for the cluster Na_8 with different energy widths and different decay patterns is more difficult to interpret by surface plasmon like resonances than by molecular structure and dynamics. Timeresolved fragmentation of cluster ions Na_n^+ indicates that direct photo-induced fragmentation processes are more important at short times than the statistical unimolecular decay.

Femtosecond two-photon ionization spectroscopy of the B state of Na_3 clusters

We report time-resolved experiments studying the dynamics of the Na_3 B-X system. Femtosecond pump-probe techniques combined with ion time-of-flight (TOF) and zero kinetic energy (ZEKE) photoelectron spectroscopy allow us to observe the three-dimensional wavepacket motion in the excited Na_3 B state and in the Na_3 X state. The ground state wavepacket is induced by stimulated emission pumping during the pump pulse. The X-state dynamics is dominated by the three vibrational modes of the Na_3. Furthermore we observed pseudorotational wavepacket motion in the B state. We do not observe a fragmentation of the B state within a time interval of 10 ps.

Femtosecond dynamics of molecules and clusters

The real-time dynamics of multiphoton ionization and fragmentation of molecules - Na_2 , Na_3 - and clusters - Na_n, Hg_n - has been studied in molecular beam experiments employing ion and electron spectroscopy together with femtosecond pump-probe techniques. Experiments with Na_2 and Na_3 reveal unexpected features of the dynamics of the absorption of several photons as seen in the one- and three dimensional vibrational wave packet motion in different potential surfaces and in high laser fields. Cluster size dependent studies of physical properties such as absorption resonances, lifetimes and decay channels have been performed using tunable femtosecond light pulses in resonance enhanced multiphoton ionization (REMPI) of the cluster size under investigation. This method failed in ns-laser experiments due to the ultrafast decay of the studied cluster. For Na_n, cluster we find that for cluster sizes n \le 21 molecular excitations and properties prevail over collective excitations of plasmon-like resonances. In the case of Hg_n cluster prompt formation of singly and doubly charged cluster are observed up to n \approx 60. The transient multiphoton ionization spectra show a 'short' time wave packet dynamics, which is identical for singly and doubly charged mercury clusters while the 'long' time fragmentation dynamics is different.

Heavy metal and microbial loads in sewage irrigated vegetables of Kabul, Afghanistan

Little is known about the heavy metal and microbial contamination of vegetables produced in Central Asian cities. We therefore measured the concentration of cadmium (Cd), copper (Cu), lead (Pb), and zinc (Zn) and of faecal pathogens (Coliform bacteria, Salmonella sp., Shigella sp., Ascaris lubricoides, Entamoeba sp. and pinworms [Oxyuris vermicularis syn. Enterobius vermicularis]) in soil, irrigation water, and marketed vegetables of Kabul City, Afghanistan. Leaf Pb and Zn concentrations of leafy vegetables were with 1–5 and 33–160 mg kg^{-1} dry weight (DW) several-fold above respective international thresholds of 0.3 mg Pb kg^{-1} and 50 mg Zn kg^{-1}. The tissue concentration of Cu was below threshold limits in all samples except for spinach in one farm. Above-threshold loads of microbes and parasites on vegetables were found in five out of six gardens with coliforms ranging from 0.5–2 × 10^7 cells 100g^{-1} fresh weight (FW), but no Salmonella and Shigella were found. Contamination with 0.2 × 10^7 eggs 100g^{-1} FW of Ascaris was detected on produce of three farms and critical concentrations of Entamoeba in a single case, while Oxyuris vermicularis, and Enterobius vermicularis were found on produce of three and four farms, respectively. Irrigation water had Ascaris, Coliforms, Salmonella, Shigella, Entamoeba, and Oxyuris vermicularis syn. Enterobius vermicularis ranging from 0.35 × 10^7 to 2 × 10^7 cells l^{-1}. The heavy metal and microbial loads on fresh UPA vegetables are likely the result of contamination from rising traffic, residues of the past decades of war and lacking treatment of sewage which needs urgent attention.

First-principles electronic theory of non-collinear magnetic order in transition-metal nanowires

The structural, electronic and magnetic properties of one-dimensional 3d transition-metal (TM) monoatomic chains having linear, zigzag and ladder geometries are investigated in the frame-work of first-principles density-functional theory. The stability of long-range magnetic order along the nanowires is determined by computing the corresponding frozen-magnon dispersion relations as a function of the 'spin-wave' vector q. First, we show that the ground-state magnetic orders of V, Mn and Fe linear chains at the equilibrium interatomic distances are non-collinear (NC) spin-density waves (SDWs) with characteristic equilibrium wave vectors q that depend on the composition and interatomic distance. The electronic and magnetic properties of these novel spin-spiral structures are discussed from a local perspective by analyzing the spin-polarized electronic densities of states, the local magnetic moments and the spin-density distributions for representative values q. Second, we investigate the stability of NC spin arrangements in Fe zigzag chains and ladders. We find that the non-collinear SDWs are remarkably stable in the biatomic chains (square ladder), whereas ferromagnetic order (q =0) dominates in zigzag chains (triangular ladders). The different magnetic structures are interpreted in terms of the corresponding effective exchange interactions J(ij) between the local magnetic moments μ(i) and μ(j) at atoms i and j. The effective couplings are derived by fitting a classical Heisenberg model to the ab initio magnon dispersion relations. In addition they are analyzed in the framework of general magnetic phase diagrams having arbitrary first, second, and third nearest-neighbor (NN) interactions J(ij). The effect of external electric fields (EFs) on the stability of NC magnetic order has been quantified for representative monoatomic free-standing and deposited chains. We find that an external EF, which is applied perpendicular to the chains, favors non-collinear order in V chains, whereas it stabilizes the ferromagnetic (FM) order in Fe chains. Moreover, our calculations reveal a change in the magnetic order of V chains deposited on the Cu(110) surface in the presence of external EFs. In this case the NC spiral order, which was unstable in the absence of EF, becomes the most favorable one when perpendicular fields of the order of 0.1 V/Å are applied. As a final application of the theory we study the magnetic interactions within monoatomic TM chains deposited on graphene sheets. One observes that even weak chain substrate hybridizations can modify the magnetic order. Mn and Fe chains show incommensurable NC spin configurations. Remarkably, V chains show a transition from a spiral magnetic order in the freestanding geometry to FM order when they are deposited on a graphene sheet. Some TM-terminated zigzag graphene-nanoribbons, for example V and Fe terminated nanoribbons, also show NC spin configurations. Finally, the magnetic anisotropy energies (MAEs) of TM chains on graphene are investigated. It is shown that Co and Fe chains exhibit significant MAEs and orbital magnetic moments with in-plane easy magnetization axis. The remarkable changes in the magnetic properties of chains on graphene are correlated to charge transfers from the TMs to NN carbon atoms. Goals and limitations of this study and the resulting perspectives of future investigations are discussed.

Poly-Si₁₋xGex Film Growth for Ni Germanosilicided Metal Gate

Scaling down of the CMOS technology requires thinner gate dielectric to maintain high performance. However, due to the depletion of poly-Si gate, it is difficult to reduce the gate thickness further especially for sub-65 nm CMOS generation. Fully silicidation metal gate (FUSI) is one of the most promising solutions. Furthermore, FUSI metal gate reduces gate-line sheet resistance, prevents boron penetration to channels, and has good process compatibility with high-k gate dielectric. Poly-SiGe gate technology is another solution because of its enhancement of boron activation and compatibility with the conventional CMOS process. Combination of these two technologies for the formation of fully germanosilicided metal gate makes the approach very attractive. In this paper, the deposition of undoped Poly-Si₁₋xGex (0 < x < 30% ) films onto SiO₂ in a low pressure chemical vapor deposition (LPCVD) system is described. Detailed growth conditions and the characterization of the grown films are presented.

Música, mujeres, hombres y contradicciones : la construcción del género en la escena del Death Metal en Bogotá

A lo largo del texto pretendo mostrar un estudio de caso de cómo se puede entender el género de manera más sutil, al plantear que hay formas alternativas de ver la feminidad y cómo se construye una nueva forma de ser mujer a partir de elementos masculinos. Es por esto, que este trabajo muestra que existen variaciones en el género que se deben tener en cuenta. Siguiendo esta línea de trabajo, procederé en el primer apartado a revisar de qué manera se realizó la investigación, teniendo en cuenta las diferentes fases en las que se realizó y las técnicas utilizadas. A continuación, en la segunda parte del texto, haré una revisión del concepto de género, para poder explicar qué son la masculinidad y la feminidad, al igual que los espacios masculinos. En el tercera parte, veremos cómo es la escena del Death Metal en Bogotá, lo que servirá de introducción para hablar de cómo se construye el género en este espacio. En el cuarto y el quinto apartado realizaremos un análisis de cómo son los hombres y las mujeres en esta escena, respectivamente. Para realizar esta explicación tomaré en cuenta la literatura sobre género, al igual que los resultados encontrados a lo largo de la investigación, para así determinar cómo se comprende la feminidad en el Death Metal, explicando la manera en que las mujeres de la escena construyen una forma alternativa de ser mujer. Finalmente, retomaremos las ideas principales del texto para establecer que hay una forma particular en la que se construye el género en esta escena, encontrando que existen vías no tradicionales de pensarse como mujer.

Plan exportador Metal Muebles y Cia. Ltda.

La idea principal de este trabajo, es realizar un evaluación sobre las diferentes posibilidades que se presentan para exportar uno de los productos que fabrica la empresa METAL MUEBLES Y CIA LTDA fundada por el señor Álvaro de Jesús Chalarca en el año de 1994 quien hizo posible la elaboración de este Plan Exportador autorizando el suministro de toda la información de la empresa. Se evaluaran cada uno de los países que participaran en la elaboración de este trabajo así como los procesos y situaciones que se deben tener en cuenta para obtener un excelente resultado. Se hará igualmente una revisión de todas las debilidades y fortalezas con las que cuenta cada país, que afectan el proceso de exportación. Durante el desarrollo del proyecto se realizara una matriz teniendo en cuenta diferentes tipo de variables que ayudaran a medir la factibilidad de que el plan exportador se lleve a cabo en los países de: Ecuador, Chile y Perú. Finalmente se realizara el desarrollo de una estrategia de comercialización para cumplir el fin propuesto y ampliar las posibilidades de expansión de METAL MUEBLES Y CIA LTDA.

Ángeles ascendentes y demonios caídos: construcción de subjetividad, metal y cristianismo en la iglesia Comunidad Pantokrator en Bogotá

Esta tesis es el resultado de un ejercicio interdisciplinar, tanto metodológico como teórico, para observar y analizar las lógicas de construcción de subjetividad que se entraman en una iglesia evangélica y pentecostal en el sur de Bogotá llamada Comunidad Pantokrator. Allí, el cristianismo interactúa y afecta la particularidad más significativa de esta iglesia: la presencia de la subcultura del rock y del metal. En este encuentro que pareciera contradictorio entre el cristianismo y el metal, se presentan mecanismos sociales que son parte de la construcción de una subjetividad metalera y cristiana, que altera el modo en el que los asistentes de Pantokrator se entienden a sí mismos, a su congregación y a la realidad social a la que se enfrentan diariamente. En este trabajo, se relata la construcción de esos mecanismos y su operación sobre la estructura jerárquica de la iglesia, los procesos de conversión religiosa y la asunción de su fe cristiana y la forma en la que definen al mundo social que los rodea, especialmente a otras comunidades cristianas y al metal secular.

El impacto de los clusters basados en tecnología en el desarrollo regional: el caso del tecnopolo Futuroscope de Gran Poitiers

Un gran número de reconocidas ciudades en el mundo han llegado a niveles excepcionalesde desarrollo económico y social apalancadas por innovaciones de punta. Para laregión de Poitou-Charentes, en Francia, la presencia del parque de atracciones Futuroscopeen la ciudad de Poitiers se ha convertido en una importante atracción turística que actualmente propone una incógnita: ¿es esta infraestructura suficiente para considerar elGrand Technopole de Poitiers como un exitoso cluster de alta tecnología?Para conseguir las condiciones que permitan consolidar este cluster de alta tecnología, laregión debe tener la posibilidad de articular, gestionar y gobernar agresivas estrategias deinnovación.Con base en los resultados de un estudio sobre varias ciudades innovadoras de todo elmundo, se identificaron mecanismos básicos que permiten romper con los paradigmas convencionales del crecimiento, por medio de innovaciones revolucionarias que permitentener rendimientos de clase mundial, una marca de prestigio global y el estatus de polo éxitosode innovación tecnológica. Los resultados obtenidos muestran las características delos tecnopolos existentes, que deben de potencializarse para conseguir un posicionamiento de clase mundial para la región.