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Article
A Cathodoluminescence Study of the Defects Created by the Degradation of High Power AlGaAs/GaAs Multiemitter Laser Bars
In this work we study the defects responsible for the degradation of high power AlGaAs based laser bars. The mirror and cavity degradations are studied by spectral cathodoluminescence (CL) imaging. Following t...
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Article
Study of the degradation of AlGaAs-based high-power laser bars: V defects
In this work we report the results of damage induced by aging tests of high power AlGaAs based laser bars. Post-laser aging the mirror and cavity degradations are studied by cathodoluminescence (CL). Following...
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Chapter
Theoretical Study of the Collective Electronic Excitations of the Endohedral Clusters Na N @C780
The low energy part of the photoabsorption spectrum of the two layer fullerene C780 and the endohedrals Na20@C780 and Na25@C780 has been calculated using time-dependent density functional theory. The main feature...
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Chapter and Conference Paper
Molecular dynamics study of A18B Lennard-Jones clusters
Low temperature structures, melting and evaporation temperatures of A18B clusters with Lennard-Jones interactions have been studied using Molecular Dynamics simulations for different values of the parameters repr...
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Article
Molecular dynamics study of A18B lennard-jones clusters
Low temperature structures, melting and evaporation temperatures of A18B clusters with Lennard-Jones interactions have been studied using Molecular Dynamics simulations for different values of the parameters repr...
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Article
Evolution of the structural stability of large Cu, Ni, Pd, and Ag clusters with size: An analysis within the embedded atom method
A study of the structural stability of clusters made up of a single component has been carried out within the Embedded Atom Method. Perfect icosahedral and cuboctahedral Cu, Ni, Pd, and Ag clusters with up to ...
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Article
Distribution of interatomic distances in large metallic clusters
Spherically averaged pseudopotential (SAPS) calculations have been done for Mg n clusters, withn up to 250 within the framework of density functional theory. The electronic stru...
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Chapter
Electronic Structure and Adduct Geometries in the Chemisorption of Nitric Oxide in Small Gas-Phase Cobalt Clusters
A Theoretical study of the structures of CoxNO+ and of the mechanism for the reaction Co x + + NO with x=2,3,4, is presented. Combining a Simplified Molecular ...
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Article
Stability of isomeric Na n clusters
A method which combines density functional theory and the use of pseudopotentials is applied to obtain ground state and low-lying metastable geometries of Na n clusters (7≤n≤40)...
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Article
Evaporation rates of hot sodium clusters
A scheme based in density functional theory with pseudopotentials is used to obtain the normal modes of vibration of Na n clusters (4 ≤n ≤ 22). The monomer and dimer evaporation...
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Article
Coulomb explosion of charged jellium clusters
The Density Functional Formalism is used to calculate the minimum number of atoms (N c ) a multiply charged jellium-like spherical cluster must contain to be stable against coul...
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Article
Immersion of hydrogen atoms in aluminium clusters
The immersion of a H atom at the centre of Al N clusters with 8≦N≦21 has been studied using the density functional formalism and a pseudopotential averaged about the cluster cen...
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Article
Enrichment and segregation in alkali heteroclusters
A spherical average pseudopotential method (SAPS) is used to investigate some properties of compound alkali clusters. The effect that the substitution of a Sodium atom by a Lithium atom in a Na
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Chapter and Conference Paper
Enrichment and segregation in alkali heteroclusters
A spherical average pseudopotential method (SAPS) is used to investigate some properties of compound alkali clusters. The effect that the substitution of a Sodium atom by a Lithium atom in a Nan cluster has on th...
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Article
Electronic and atomic structure of Na, Mg, Al and Pb clusters
Density functional theory is used to study the electronic and atomic structure of small clusters of Na, Mg, Al and Pb. We study the quantityE N−1–E N , which has relevance to t...
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Chapter
Density Functional Calculation of the Fragmentation of Neutral, Singly and Doubly-Ionized Spherical Jellium-Like Metallic Microparticles
The fragmentation of neutral and ionized metallic clusters is studied by using the density functional method and the spherical jellium model. The peculiarities of the fragmentation are controlled by the tenden...
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Article
Electron density and atomic relaxation around a vacancy in a small metal particle
The electron density in an ideal vacancy placed at the center of a small Aluminium microparticle has been studied as a function of the number of atoms in the microparticle. In these circumstances one can concl...
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Article
Density functional calculation of the ionization potentials of small metallic particles
A Density Functional Pseudopotential method is used to compute the ionization potential IP of Sodium, Aluminium and Lead microparticles as a function of particle size. The model particles are formed by a centr...
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Article
Density Functional theory of the atomic electronegativity
The atomic electronegativity, identified with the electronic chemical potential of the Energy Density Functional formalism has been studied by using an approximate functional containing gradient corrections. O...