The influence of initial impurities and irradiation conditions on defect production and annealing in silicon for particle detectors

Silicon detectors in particle physics experiments at the new accelerators or in space missions for physics goals will be exposed to extreme radiation conditions. The principal obstacles to long-term operation in these environments are the changes in detector parameters, consequence of the modifications in material properties after irradiation. The phenomenological model developed in the present paper is able to explain quantitatively, without free parameters, the production of primary defects in silicon after particle irradiation and their evolution toward equilibrium, for a large range of generation rates of primary defects. Vacancy-interstitial annihilation, interstitial migration to sinks, divacancy and vacancy-impurity complex (VP, VO, V2O, CiOi and CiCs) formation are taken into account. The effects of different initial impurity concentrations of phosphorus, oxygen and carbon, as well as of irradiation conditions are systematically studied. The correlation between the rate of defect production, the temperature and the time evolution of defect concentrations is also investigated.Comment: 14 pages, 8 figures, submitted to Nucl. Instrum. Meth. Phys. Res.

Stability of an Exciton bound to an Ionized Donor in Quantum Dots

Total energy, binding energy, recombination rate (of the electron hole pair) for an exciton (X) bound in a parabolic two dimensional quantum dot by a donor impurity located on the z axis at a distance d from the dot plane, are calculated by using the Hartree formalism with a recently developed numerical method (PMM) for the solution of the Schroedinger equation. As our analysis indicates there is a critical dot radius such that for radius less than the critical radius the complex is unstable and with an increase of the impurity distance this critical radius increases. Furthermore, there is a critical value of the mass ratio such that for mass ratio less than the critical value the complex is stable. The appearance of this stability condition depends both on the impurity distance and the dot radius, in a way that with an increase of the impurity distance we have an increase in the maximum dot radius where this stability condition appears. For dot radii greater than this maximum dot radius (for fixed impurity distance) the complex is always stable.Comment: 17 pages, 7 figures Applying a new numerical method which is based on the adiabatic stability of quantum mechanics, we study the stability of an exciton (X) bound in a parabolic two dimensional quantum dot by a donor impurity located on the z axis at a distance d from the dot plan

Reversal of the Charge Transfer between Host and Dopant Atoms in Semiconductor Nanocrystals

We present ab initio density functional calculations that show P (Al) dopant atoms in small hydrogen-terminated Si crystals to be negatively (positively) charged. These signs of the dopant charges are reversed relative to the same dopants in bulk Si. We predict this novel reversal of the dopant charge (and electronic character of the doping) to occur at crystal sizes of order 100 Si atoms. We explain it as a result of competition between fundamental principles governing charge transfer in bulk semiconductors and molecules and predict it to occur in nanocrystals of most semiconductors.Comment: 4 pages, 4 figures (3 in color), 2 table

The Structure of the [Zn_In - V_P] Defect Complex in Zn Doped InP

We study the structure, the formation and binding energies and the transfer levels of the zinc-phosphorus vacancy complex [Zn_In - V_P] in Zn doped p-type InP, as a function of the charge, using plane wave ab initio DFT-LDA calculations in a 64 atom supercell. We find a binding energy of 0.39 eV for the complex, which is neutral in p-type material, the 0/-1 transfer level lying 0.50 eV above the valence band edge, all in agreement with recent positron annihilation experiments. This indicates that, whilst the formation of phosphorus vacancies (V_P) may be involved in carrier compensation in heavily Zn doped material, the formation of Zn-vacancy complexes is not. Regarding the structure: for charge states Q=+6 to -4 the Zn atom is in an sp^2 bonded DX position and electrons added/removed go to/come from the remaining dangling bonds on the triangle of In atoms. This reduces the effective vacancy volume monatonically as electrons are added to the complex, also in agreement with experiment. The reduction occurs through a combination of increased In-In bonding and increased Zn-In electrostatic attraction. In addition, for certain charge states we find complex Jahn-Teller behaviour in which up to three different structures, (with the In triangle dimerised, antidimerised or symmetric) are stable and are close to degenerate. We are able to predict and successfully explain the structural behaviour of this complex using a simple tight binding model.Comment: 10 pages text (postscript) plus 8 figures (jpeg). Submitted to Phys. Rev.

Scenarios about the long-time damage of silicon as material and detectors operating beyond LHC collider conditions

For the new hadron collider LHC and some of its updates in luminosity and energy, as SLHC and VLHC, the silicon detectors could represent an important option, especially for the tracking system and calorimetry. The main goal of this paper is to analyse the expected long-time degradation in the bulk of the silicon as material and for silicon detectors, in continuous radiation field, in these hostile conditions. The behaviour of silicon in relation to various scenarios for upgrade in energy and luminosity is discussed in the frame a phenomenological model developed previously by the authors. Different silicon material parameters resulting from different technologies are considered to evaluate what materials are harder to radiation and consequently could minimise the degradation of device parameters in conditions of continuous long time operation.Comment: submitted to Physica Scripta Work in the frame of CERN RD-50 Collaboratio

Reconstruction Mechanism of FCC Transition-Metal (001) Surfaces

The reconstruction mechanism of (001) fcc transition metal surfaces is investigated using a full-potential all-electron electronic structure method within density-functional theory. Total-energy supercell calculations confirm the experimental finding that a close-packed quasi-hexagonal overlayer reconstruction is possible for the late 5$d$-metals Ir, Pt, and Au, while it is disfavoured in the isovalent 4$d$ metals (Rh, Pd, Ag). The reconstructive behaviour is driven by the tensile surface stress of the unreconstructed surfaces; the stress is significantly larger in the 5$d$ metals than in 4$d$ ones, and only in the former case it overcomes the substrate resistance to the required geometric rearrangement. It is shown that the surface stress for these systems is due to $d$ charge depletion from the surface layer, and that the cause of the 4th-to-5th row stress difference is the importance of relativistic effects in the 5$d$ series.Comment: RevTeX 3.0, 12 pages, 1 PostScript figure available upon request] 23 May 199

Coexistence of Band Jahn Teller Distortion and superconductivity in correlated systems

The co-existence of band Jahn-Teller (BJT) effect with superconductivity (SC) is studied for correlated systems, with orbitally degenerate bands using a simple model. The Hubbard model for a doubly degenerate orbital with the on-site intraorbital Coulomb repulsion treated in the slave boson formalism and the interorbital Coulomb repulsion treated in the Hartree-Fock mean field approximation, describes the correlated system. The model further incorporates the BJT interaction and a pairing term to account for the lattice distortion and superconductivity respectively. It is found that structural distortion tends to suppress superconductivity and when SC sets in at low temperatures, the growth of the lattice distortion is arrested. The phase diagram comprising of the SC and structural transition temperatures $T_c$ and $T_s$ versus the dopant concentration $\delta$ reveals that the highest obtainable $T_c$ for an optimum doping is limited by structural transition. The dependence of the occupation probabilities of the different bands as well as the density of states (DOS) in the distorted-superconducting phase, on electron correlation has been discussed.Comment: RevTex, 4 pages, 4 figuers (postscript files attached) Journal Reference : Phys. Rev. B (accepted for publication

Theory of Superconducting TcT_{c} of doped fullerenes

We develop the nonadiabatic polaron theory of superconductivity of $M_{x}C_{60}$ taking into account the polaron band narrowing and realistic electron-phonon and Coulomb interactions. We argue that the crossover from the BCS weak-coupling superconductivity to the strong-coupling polaronic and bipolaronic superconductivity occurs at the BCS coupling constant $\lambda\sim 1$ independent of the adiabatic ratio, and there is nothing ``beyond'' Migdal's theorem except small polarons for any realistic electron-phonon interaction. By the use of the polaronic-type function and the ``exact'' diagonalization in the truncated Hilbert space of vibrons (``phonons'') we calculate the ground state energy and the electron spectral density of the $C_{60}^{-}$ molecule. This allows us to describe the photoemission spectrum of $C_{60}^{-}$ in a wide energy region and determine the electron-phonon interaction. The strongest coupling is found with the high-frequency pinch $A_{g2}$ mode and with the Frenkel exciton. We clarify the crucial role of high-frequency bosonic excitations in doped fullerenes which reduce the bare bandwidth and the Coulomb repulsion allowing the intermediate and low-frequency phonons to couple two small polarons in a Cooper pair. The Eliashberg-type equations are solved for low-frequency phonons. The value of the superconducting $T_{c}$, its pressure dependence and the isotope effect are found to be in a remarkable agreement with the available experimental data.Comment: 20 pages, Latex, 4 figures available upon reques