The 4.2 ka event in the vegetation record of the central Mediterranean

In this paper, the variation in forest cover in the central Mediterranean region, reflected by percentage changes in the arboreal pollen record, has been examined in relation to the 4.2 ka event. A total of 36 well-dated and detailed pollen records from latitudes between 45 and 36 degrees N were selected and their vegetation dynamics between 5 and 3 ka examined in relation to the physiographic and climatic features of the study area and to the influence of human activity on past vegetation, as suggested by anthropogenic pollen indicators. We have found that the sites located between 43 and 45 degrees N do not show any significant vegetation change in correspondence with the 4.2 ka event. Several sites located on the Italian Peninsula between 39 and 43 degrees N show a marked opening of the forest, suggesting a vegetation response to the climate instability of the 4.2 ka event. Between 36 and 39 degrees N, a forest decline is always visible around 4.2 ka, and in some cases it is dramatic. This indicates that this region was severely affected by a climate change towards arid conditions that lasted a few hundred years and was followed by a recovery of forest vegetation in the Middle Bronze Age. Human activity, especially intense in southern Italy, may have been favored by this natural opening of vegetation. In Sardinia and Corsica, no clear change in vegetation is observed at the same time. We suggest that during the 4.2 ka event southern Italy and Tunisia were under the prevalent influence of a north African climate system characterized by a persistent high-pressure cell

Decline of evergreen vegetation in the central Mediterranean regions during the 4 ka BP drought event

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Erratum: Step energy and step interactions on the reconstructed GaAs(001) surface (Physical Review B - Condensed Matter and Materials Physics (2014) 90 (115314) DOI: 10.1103/PhysRevB.90.115314)

We report here the corrected values for the step energies and the step interactions calculated in our paper for a large set of different step configurations. We have found that one parameter, i.e., the smearing parameter governing the band occupation around the Fermi level, was not converged enough to predict the step properties with sufficient accuracy. Since the surfaces are metallic a smearing function had to be used for the state occupation around the Fermi level. We used the smearing function proposed by Marzari and Vanderbilt. We found that the parameter entering this expression is a particularly sensitive one. The previous paper used a commonly chosen value of 0.02 Ry. However, we found that a much smaller value for this parameter was necessary to obtain well converged values for the surface energies. The convergence of the smearing parameter has been carefully checked. Figure presented

Electronic structure of self-assembled InAs/InP quantum dots: A Comparison with self-assembled InAs/GaAs quantum dots

We investigate the electronic structure of the InAs/InP quantum dots using an atomistic pseudopotential method and compare them to those of the InAs/GaAs QDs. We show that even though the InAs/InP and InAs/GaAs dots have the same dot material, their electronic structure differ significantly in certain aspects, especially for holes: (i) The hole levels have a much larger energy spacing in the InAs/InP dots than in the InAs/GaAs dots of corresponding size. (ii) Furthermore, in contrast with the InAs/GaAs dots, where the sizeable hole $p$, $d$ intra-shell level splitting smashes the energy level shell structure, the InAs/InP QDs have a well defined energy level shell structure with small $p$, $d$ level splitting, for holes. (iii) The fundamental exciton energies of the InAs/InP dots are calculated to be around 0.8 eV ($\sim$ 1.55 $\mu$m), about 200 meV lower than those of typical InAs/GaAs QDs, mainly due to the smaller lattice mismatch in the InAs/InP dots. (iii) The widths of the exciton $P$ shell and $D$ shell are much narrower in the InAs/InP dots than in the InAs/GaAs dots. (iv) The InAs/GaAs and InAs/InP dots have a reversed light polarization anisotropy along the [100] and [1$\bar{1}$0] directions

Step energy and step interactions on the reconstructed GaAs(001) surface

Using ab initio total energy calculations we have studied the relation between the step atomic configuration and its properties (step energy, donor/acceptor behavior, and step interaction) on a beta(2)(2 x 4) reconstructed GaAs (001) surface. The results have been tested against the widely used elastic dipole model for the step energy and step interaction considered valid for stress-free surfaces. We have found that acceptor-behaving steps have an attractive interaction and donor-behaving steps have a repulsive interaction in contrast with the elastic dipole model which predicts always a repulsive interaction between like-oriented steps. To account for the attractive interaction we consider the electrostatic dipole interaction having the L-2 scaling with the step distance L and therefore compatible with the standard elastic model. Using a model charge distribution with localized point charges at the step based on the electron counting model we show that the electrostatic step interaction can indeed be generally attractive and of the same order of magnitude of the negative elastic dipole interaction. Our results show however that the usually employed dipole model is unable to account for the repulsive/attractive step interaction between donorlike/acceptorlike steps. Therefore, the ab initio results suggest an important electronic contribution to the step interaction, at least at the short step distances accessible to the first-principles study. Our results explain qualitatively many experimental observations and provide an explanation to the step bunching phenomenon on GaAs(001) induced by doping or by critical growth conditions as due to the stabilization of attractively interacting step structures. These ideas would lead to the development of a bottom-up surface step engineering

Structures and Electronic States of Nickel Rich Oxides for Lithium Ion Batteries

A new superstructure of layered pristine LiNiO2 (LNO) was obtained optimizing a large supercell of the 166 space group, the one observed experimentally by XRD, and relaxing both cell parameters and internal positions. The crystal structure shows size and charge disproportionation of the NiO6 octahedra instead of the Jahn-Teller distortion. The decrease of the internal energy obtained with the structural optimization of the supercell relative to the same structure in its primitive unit cell is much larger than the one obtained by relaxing similarly dimensioned supercells of monoclinic symmetry relative to their primitive unit cells, although the monoclinic phase remains more stable. The Ni-O bond length distribution of the new structure agree well with the experiments. Our results show that the choice of the simulation cell is important for determining the energetics of this class of oxide materials, proposed for cathodes in lithium ion batteries (LIBs). We used this new structure as a template for the study of the structural and electronic changes induced by the delithiation and Mn for Ni cation substitution, originating the solid solutions LiNiyMn(1-y)O2 (LNMO). Our results, surprisingly, agree well with the existing experiments and explain observed trends better than previous studies.Comment: Preprin

Role of surface structural motifs on the stability and reflectance anisotropy spectra of Sb-rich GaSb(001) reconstructions

The structure of the technologically important-but still mostly unknown-GaSb(001)-c(2 x 6) surface reconstruction is investigated by means of ab initio simulations of reflectance anisotropy spectroscopy (RAS) and total energy calculations. A large number of reconstruction models for the GaSb(001) surface in the Sb-rich coverage regime are considered. The influence of each single surface structural motif on the RAS spectra is studied in detail, as well as their role in the surface stability with regard to application of the electron counting rule (ECR). We interpret the features of the RAS data measured for this reconstruction and suggest a new model for the c(2 x 6) phase. In this model a few Sb atoms in the second layer are randomly substituted by Ga, forming surface antisite defects. When used to fulfill the ECR, this "doping" effect considerably lowers the total energy of the long chain c(2 x 6) reconstruction model, making it competitive with the more stable short-chain (4 x 3) reconstructions. Formation of the surface antisites occurs spontaneously in the presence of dynamical negative charge fluctuations and is favored by the excellent matching between GaSb(001) and metallic Sb and by the natural softness of the Ga-Sb bonds. Calculations of the reflectance anisotropy spectra confirm that this structure is a major component of a largely disordered surface, where motifs of the stable (4 x 3) reconstructions are also present

Holocene environmental instability in the wetland north of the Tiber delta (Rome, Italy): sea-lake-man interactions

Combined analyses of pollen, seeds, woods, micro-charcoal and non-pollen palynomorphs from Stagno di Maccarese, an artificially dried out coastal basin north of the Tiber delta now occupied by the Fiumicino Airport (Rome, Italy), document marked vegetation and environmental changes during the last 8300 years. Between 8300 and 5400 cal. a BP dense mixed deciduous and evergreen forests surrounded a eutrophic freshwater basin. An abrupt change around 5400 cal. a BP marks the transition to a marshy environment, due to a lowering of the water table. An increase of cereals and micro-charcoals matches the presence of a nearby Eneolithic settlement. Between 5100 and 2900 cal. a BP there is a remarkable expansion of riparian trees, indicating an increase of the water level. Between 2900 and 2000 cal. a BP, a new development of marshlands points to a progressive lowering of the lake. After 2000 cal. a BP, during the Roman exploitation of the area, an expansion of arboreal vegetation is recorded, characterized by evergreen and deciduous oak-dominated forests, while an extensive chenopods marshland matches the presence of saltworks. On the whole, the Stagno di Maccarese area appears very unstable, due to changes in lake level, introgression of marine water, eutrophic phases, flood events, desiccations and openings of the forest vegetation