First principles LDA+U and GGA+U study of cerium oxides: Dependence on the effective U-parameter

The electronic structure and properties of cerium oxides (CeO2 and Ce2O3) have been studied in the framework of the LDA+U and GGA(PW91)+U implementations of density functional theory. The dependence of selected observables of these materials on the effective U parameter has been investigated in detail. The examined properties include lattice constants, bulk moduli, density of states, and formation energies of CeO2 and Ce2O3. For CeO2, the LDA+U results are in better agreement with experiment than the GGA+U results whereas for the computationally more demanding Ce2O3 both approaches give comparable accuracy. Furthermore, as expected, Ce2O3 is much more sensitive to the choice of the U value. Generally, the PW91 functional provides an optimal agreement with experiment at lower U energies than LDA does. In order to achieve a balanced description of both kinds of materials, and also of nonstoichiometric CeO2¿x phases, an appropriate choice of U is suggested for LDA+U and GGA+U schemes. Nevertheless, an optimum value appears to be property dependent, especially for Ce2O3. Optimum U values are found to be, in general, larger than values determined previously in a self-consistent way.

A first-principles analysis of the magnetism of CuII polynuclear coordination complexes: the case of [Cu4(bpy)4(aspartate)2(H2O)3](ClO4)4·2.5H2O

The magnetic structure of the [Cu4(bpy)4(aspartate)2(H2O)3](ClO4)4·2.5 H2Ocrystal - using fractional coordinates determined at room-temperature ¿ has beenanalysed in detail. This analysis has been carried out by extending our first principlesbottom-up theoretical approach, which was initially designed to study through-spacemagnetic interactions, to handle through-bond magnetic interactions. The only input datarequired by this approach are the values of the computed JAB exchange parameters for allthe unique pairs of spin-containing centres. The results allow the magnetic structure ofthe crystal, which presents two types of isolated tetranuclear CuII clusters, to be definedin quantitative terms. Each of these clusters presents ferro and antiferromagneticinteractions, the former being stronger, although outnumbered by the latter. Thecomputed magnetic susceptibility curve shows the same qualitative features as theexperimental data. However, there are small differences that are presumed to beassociated with the use of room-temperature crystal coordinates.

La història cultural i l'intel·lectual professional. Una visió personal

The author exposes the main research lines in the history of local culture. He briefly considers the main lines in cultural contemporary history investigation. The author studies the introduction and development of cultural history based on the concept of intellectual professional in Catalan historiography at a moment when economical and social research were preferred by a large part of local historians.

La història cultural i l'intel·lectual professional. Una visió personal

The author exposes the main research lines in the history of local culture. He briefly considers the main lines in cultural contemporary history investigation. The author studies the introduction and development of cultural history based on the concept of intellectual professional in Catalan historiography at a moment when economical and social research were preferred by a large part of local historians.

Identitat cultural de gènere, discurs de la domesticitat i definició del treball de les dones a l'Espanya del segle XIX

Aquest article argumenta que la construcció histbrica de la feminitat va ser crucial en la conceptualització i definició del treball remunerat de les dones. En el context de la Catalunya de finals del segle dinou i comentaments del vint, examina la construcció sociocultural de gtnere i se centra en el discurs de la conceptualització del treball femení al mateix temps que 6s examinat des de la perspectiva de la diversitat de classe. A més, I'estudi analitza el desenvolupament d'una cultura del treball en el context del moviment de la classe treballadora i planteja el problema del context de la classe treballadora per generar una visió alternativa del treball remunerat de les dones que reconegui el paper de les treballadores. Demostra que, malgrat la visió radical i10 revolucionAria de la societat, les relacions de gknere en gran mesura no han estat qüestionades en els circuits de la classe treballadora. Aquest article considera el discurs de la domesticitat com a crucial en el desenvolupament de I'actitud de la classe treballadora catalana cap al treball assalariat femení i examina les implicacions que aixb va tenir en la continua discriminació i en la manca del reconeixement social del treball assalariat de les dones.

Ressenya de PEYTAVÍ DEIXONA, Joan, 'Catalans i occcitans a la Catalunya moderna (Comtats del Rosselló i Cerdanya s. XVI-XVII). Barcelona, Omnium Cultural, 2005

Amb aquests dos gruixuts volums Joan Peytaví fa un regal inestimable als filòlegs, particularment als estudiosos de l"onomàstica i la llengua catalanes, als historiadors i estudiosos de la història de la població i, en general, a la cultura catalana i, especialment, a la de la Catalunya del Nord.

Workers' perception of workplace bullying: a cross-cultural study

This study is one of the first studies to approach workplace bullying cross-culturally. It sought to compare employees' understanding of workplace bullying in two different world regions: Central America and Southern Europe, regarding three aspects of workplace bullying: psychological vs. physical harassment, hierarchical vs. horizontal bullying, and direct vs. indirect aggression. A convenience sample of 246 workers provided their own definition of workplace bullying through a single, open-ended question. The results showed that employees from Central America emphasized the physical component of workplace bullying more than the Southern European employees. However, similarities in the conceptualization of workplace bullying across both cultures were found as well. Both Southern European and Central American employees defined workplace bullying mainly as a hierarchical phenomenon, where the aggression took the form of direct strategies. Such differences and similarities bring to the field some positive inputs for the development and implementation of different strategies for dealing effectively with this phenomenon.

Workers' perception of workplace bullying: a cross-cultural study

This study is one of the first studies to approach workplace bullying cross-culturally. It sought to compare employees' understanding of workplace bullying in two different world regions: Central America and Southern Europe, regarding three aspects of workplace bullying: psychological vs. physical harassment, hierarchical vs. horizontal bullying, and direct vs. indirect aggression. A convenience sample of 246 workers provided their own definition of workplace bullying through a single, open-ended question. The results showed that employees from Central America emphasized the physical component of workplace bullying more than the Southern European employees. However, similarities in the conceptualization of workplace bullying across both cultures were found as well. Both Southern European and Central American employees defined workplace bullying mainly as a hierarchical phenomenon, where the aggression took the form of direct strategies. Such differences and similarities bring to the field some positive inputs for the development and implementation of different strategies for dealing effectively with this phenomenon.

Cos, identitat i diversitat cultural. Presentació

Cos, identitat i immigració constitueixen tres realitats que quan convergeixen generen un nou punt de mira del fet migratori a la societat actual. La vivència de la pròpia corporalitat i els matisos que adquireix aquest procés en la població immigrada permeten entreteixir un discurs que mostra una nova dimensió de la construcció de la pròpia identitat en les societats multiculturals. La principal intenció del present monogràfic és, doncs, obrir una nova via de reflexió sobre el fet migratori i alhora fer visible la implicació de la cultura corporal en les transformacions socials.

¿Cómo podemos entender la inteligencia en el siglo XXI?: una visión psico-socio-cultural.

Indudablemente, no podemos desligar el tema del alumnado con altas capacidades intelectuales del constructo “inteligencia”, ya que en el fondo las sucesivas definiciones de inteligencia o de conducta inteligente marcan qué vamos a evaluar como “capacidad intelectual superior”.El siglo XX, ha sido rico en definiciones e instrumentos de medida, especialmente desde el ámbito de la Psicología, aunque no debemos dejar de lado los aportes de otras ciencias como la biología, la cibernética, la antropología o la neurología por citar algunas. Muchos autores han intentado rastrear el concepto de inteligencia y su evolución en estos últimos 100 años...

Liquid and solid scintillation: principles and applications

Scintillation counting is one of the most important developments in the application of radioisotopes to procedures needed by scientists, physicians, engineers, and technicians from many diverse discipline for the detection and quantitative measurement of radioactivity. In fact, Scintillation is the most sensitive and versatile technique for the detection and quantification ofradioactivity. Particularly, Solid and Liquid scintillation measurement are,nowadays, standard laboratory methods in the life-sciences for measuringradiation from gamma- and beta-emitting nuclides, respectively. Thismethodology is used routinely in the vast majority of diagnostic and/or researchlaboratories from those of biochemistry and biology to clinical departments.

Electron energy loss spectroscopy: physical principles, state of the art and applications to the nanosciences

In the present work we review the way in which the electron-matter interaction allows us to perform electron energy loss spectroscopy (EELS), as well as the latest developments in the technique and some of the most relevant results of EELS as a characterization tool in nanoscience and nanotechnology.

Electron probe microanalysis: principles and applications

This article summarizes the basic principles of electron probe microanalysis, with examples of applications in materials science and geology that illustrate the capabilities of the technique.