Energetic stability and magnetic properties of Mn dimers in silicon

We present an accurate first-principles study of magnetism and energetics of single Mn impurities and Mn dimers in Si. Our results, in general agreement with available experiments, show that (i) Mn atoms tend to aggregate, the formation energy of dimers being lower than the sum of the separate constituents, (ii) ferromagnetic coupling is favored between the Mn atoms constituting the dimers in p-type Si, switching to an antiferromagnetic coupling in n-type Si, (iii) Mn atoms show donors (acceptor) properties in p-type (n-type) Si, therefore they tend to compensate doping, while dimers being neutral or acceptors allow for Si to be doped p-type. (C) 2004 American Institute of Physics

Gap opening in ultrathin Si layers: Role of confined and interface states

We present first principle calculations of ultrathin silicon (111) layers embedded in CaF2, a lattice matched insulator. Our all electron calculation allows a check of the quantum confinement hypothesis for the Si band gap opening as a function of thickness. We find that the gap opening is mostly due to the valence band while the lowest conduction band states shift very modestly due to their pronounced interface character. The latter states are very sensitive to the sample design. We suggest that a quasidirect band gap can be achieved by stacking Si layers of different thickness

The phase diagrams of iron-based superconductors: theory and experiments

Phase diagrams play a primary role in the understanding of materials properties. For iron-based superconductors (Fe-SC), the correct definition of their phase diagrams is crucial because of the close interplay between their crystallo-chemical and magnetic properties, on one side, and the possible coexistence of magnetism and superconductivity, on the other. The two most difficult issues for understanding the Fe-SC phase diagrams are: 1) the origin of the structural transformation taking place during cooling and its relationship with magnetism; 2) the correct description of the region where a crossover between the magnetic and superconducting electronic ground states takes place. Hence a proper and accurate definition of the structural, magnetic and electronic phase boundaries provides an extremely powerful tool for material scientists. For this reason, an exact definition of the thermodynamic phase fields characterizing the different structural and physical properties involved is needed, although it is not easy to obtain in many cases. Moreover, physical properties can often be strongly dependent on the occurrence of micro-structural and other local-scale features (lattice micro-strain, chemical fluctuations, domain walls, grain boundaries, defects), which, as a rule, are not described in a structural phase diagram. In this review, we critically summarize the results for the most studied 11-, 122- and 1111-type compound systems, providing a correlation between experimental evidence and theory

Searching for tau neutrinos with Cherenkov telescopes

Cherenkov telescopes have the capability of detecting high energy tau neutrinos in the energy range of 1--1000 PeV by searching for very inclined showers. If a tau lepton, produced by a tau neutrino, escapes from the Earth or a mountain, it will decay and initiate a shower in the air which can be detected by an air shower fluorescence or Cherenkov telescope. In this paper, we present detailed Monte Carlo simulations of corresponding event rates for the VERITAS and two proposed Cherenkov Telescope Array sites: Meteor Crater and Yavapai Ranch, which use representative AGN neutrino flux models and take into account topographic conditions of the detector sites. The calculated neutrino sensitivities depend on the observation time and the shape of the energy spectrum, but in some cases are comparable or even better than corresponding neutrino sensitivities of the IceCube detector. For VERITAS and the considered Cherenkov Telescope Array sites the expected neutrino sensitivities are up to factor 3 higher than for the MAGIC site because of the presence of surrounding mountains.Comment: arXiv admin note: text overlap with arXiv:1308.019

Relation between phase and dwell times for quantum tunneling of a relativistically propagating particle

The general and explicit relation between the phase time and the dwell time for quantum tunneling of a relativistically propagating particle is investigated and quantified. In analogy with previously obtained non-relativistic results, it is shown that the group delay can be described in terms of the dwell time and a self-interference delay. Lessons concerning the phenomenology of the relativistic tunneling are drawn