55 research outputs found
Site-dependent charge transfer at the Pt(111)-ZnPc interface and the effect of iodine
The electronic structure of ZnPc, from sub-monolayers to thick films, on bare
and iodated Pt(111) is studied by means of X-ray photoelectron spectroscopy
(XPS), X-ray absorption spectroscopy (XAS) and scanning tunneling microscopy
(STM). Our results suggest that at low coverage ZnPc lies almost parallel to
the Pt(111) substrate, in a non-planar configuration induced by Zn-Pt
attraction, leading to an inhomogeneous charge distribution within the molecule
and charge transfer to the molecule. ZnPc does not form a complete monolayer on
the Pt surface, due to a surface-mediated intermolecular repulsion. At higher
coverage ZnPc adopts a tilted geometry, due to a reduced molecule-substrate
interaction. Our photoemission results illustrate that ZnPc is practically
decoupled from Pt, already from the second layer. Pre-deposition of iodine on
Pt hinders the Zn-Pt attraction, leading to a non-distorted first layer ZnPc in
contact with Pt(111)-I or Pt(111)-I
, and a more homogeneous charge
distribution and charge transfer at the interface. On increased ZnPc thickness
iodine is dissolved in the organic film where it acts as an electron acceptor
dopant.Comment: 12 pages, 9 figure
Breakdown of cation vacancies into anion vacancy-antisite complexes on III-V semiconductor surfaces
An asymmetric defect complex originating from the cation vacancy on (110) III-V semiconductor surfaces which has significantly lower formation energy than the ideal cation vacancy is presented. The complex is formed by an anion from the top layer moving into the vacancy, leaving an anion antisite–anion vacancy defect complex. By calculating the migration barrier, it is found that any ideal cation vacancies will spontaneously transform to this defect complex at room temperature. For stoichiometric semiconductors the defect formation energy of the complex is close to that of the often-observed anion vacancy, giving thermodynamic equilibrium defect concentrations on the same order. The calculated scanning tunneling microscopy (STM) plot of the defect complex is also shown to be asymmetric in the [11¯0] direction, in contrast to the symmetric one of the anion vacancy. This might therefore explain the two distinct asymmetric and symmetric vacancy structures observed experimentally by STM
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Hydrogen on III-V (110) surfaces: charge accumulation and STM signatures
The behavior of hydrogen on the 110 surfaces of III-V semiconductors is examined using ab initio density functional theory. It is confirmed that adsorbed hydrogen should lead to a charge accumulation layer in the case of InAs, but shown here that it should not do so for other related III-V semiconductors. It is shown that the hydrogen levels due to surface adsorbed hydrogen behave in a material dependent manner related to the ionicity of the material, and hence do not line up in the universal manner reported by others for hydrogen in the bulk of semiconductors and insulators. This fact, combined with the unusually deep point conduction band well of InAs, accounts for the occurrence of an accumulation layer on InAs(110) but not elsewhere. Furthermore, it is shown that adsorbed hydrogen should be extremely hard to distinguish from native defects (particularly vacancies) using scanning tunneling and atomic force microscopy, on both InAs(110) and other III-V (110) surfaces
Phase composition and transformations in magnetron-sputtered (Al,V)2O3 coatings
Coatings of (Al1-xVx)2O3, with x ranging from 0 to 1, were deposited by
pulsed DC reactive sputter deposition on Si(100) at a temperature of 550
{\deg}C. XRD showed three different crystal structures depending on V-metal
fraction in the coating: {\alpha}-V2O3 rhombohedral structure for 100 at.% V, a
defect spinel structure for the intermediate region, 63 - 42 at.% V. At lower
V-content, 18 and 7 at.%, a gamma-alumina-like solid solution was observed,
shifted to larger d-spacing compared to pure {\gamma}-Al2O3. The microstructure
changes from large columnar faceted grains for {\alpha}-V2O3 to smaller
equiaxed grains when lowering the vanadium content toward pure {\gamma}-Al2O3.
Annealing in air resulted in formation of V2O5 crystals on the surface of the
coating after annealing to 500 {\deg}C for 42 at.% V and 700 {\deg}C for 18
at.% V metal fraction respectively. The highest thermal stability was shown for
pure {\gamma}-Al2O3-coating, which transformed to {\alpha}-Al2O3 after
annealing to 1100{\deg} C. Highest hardness was observed for the Al-rich
oxides, ~24 GPa. The latter decreased with increasing V-content, larger than 7
at.% V metal fraction. The measured hardness after annealing in air decreased
in conjunction with the onset of further oxidation of the coatings
Point defects on the (110) surfaces of InP, InAs and InSb: a comparison with bulk
The basic properties of point defects, such as local geometries, positions of charge-transfer levels, and formation energies, have been calculated using density-functional theory, both in the bulk and on the 110 surface of InP, InAs, and InSb. Based on these results we discuss the electronic properties of bulk and surface defects, defect segregation, and compensation. In comparing the relative stability of the surface and bulk defects, it is found that the native defects generally have higher formation energies in the bulk. From this it can be concluded that at equilibrium there is a considerably larger fraction of defects at the surface and under nonequilibrium conditions defects are expected to segregate to the surface, given sufficient time. In most cases the charge state of a defect changes upon segregation, altering the charge-carrier concentrations. The photo-thresholds are also calculated for the three semiconductors and are found to be in good agreement with experimental data
The violent youth of bright and massive cluster galaxies and their maturation over 7 billion years
In this study, we investigate the formation and evolution mechanisms of the brightest cluster galaxies (BCGs) over cosmic time. At high redshift (z ∼ 0.9), we selected BCGs and most massive cluster galaxies (MMCGs) from the Cl1604 supercluster and compared them to low-redshift (z ∼ 0.1) counterparts drawn from the MCXC meta-catalogue, supplemented by Sloan Digital Sky Survey imaging and spectroscopy. We observed striking differences in the morphological, colour, spectral, and stellar mass properties of the BCGs/MMCGs in the two samples. High-redshift BCGs/MMCGs were, in many cases, star-forming, late-type galaxies, with blue broad-band colours, properties largely absent amongst the low-redshift BCGs/MMCGs. The stellar mass of BCGs was found to increase by an average factor of 2.51 ± 0.71 from z ∼ 0.9 to z ∼ 0.1. Through this and other comparisons, we conclude that a combination of major merging (mainly wet or mixed) and in situ star formation are the main mechanisms which build stellar mass in BCGs/MMCGs. The stellar mass growth of the BCGs/MMCGs also appears to grow in lockstep with both the stellar baryonic and total mass of the cluster. Additionally, BCGs/MMCGs were found to grow in size, on average, a factor of ∼3, while their average Sérsic index increased by ∼0.45 from z ∼ 0.9 to z ∼ 0.1, also supporting a scenario involving major merging, though some adiabatic expansion is required. These observational results are compared to both models and simulations to further explore the implications on processes which shape and evolve BCGs/MMCGs over the past ∼7 Gyr
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