Defect and Diffusion Forum Vols. 261-262

Abstract: This paper aims at reviewing the possibilities of using p-n junction diodes for lifetime and defect analysis in semiconductor materials. In a first part, the theoretical basis of lifetime extraction based on p-n junction current-voltage and capacitance-voltage characteristics will be discussed. In the next parts, these methods will be applied to different cases relevant for advanced semiconductor materials and device processing. First, the impact of the initial interstitial oxygen content and thermal pre-treatment of Czochralski silicon substrates on the carrier generation and recombination lifetime is discussed. A comparison will also be made with epitaxial and Float-Zone silicon. In a next part, the impact of proton-irradiation damage on the diode behavior will be presented. In the final part, the application of the technique on SiGe and Ge based p-n junctions is described. Whenever possible and useful, the information extracted from p-n junction characteristics will be compared with direct lifetime measurements using microwave techniques. Additional defect information has also been gained from other well-known techniques like Deep- Level Transient Spectroscopy (DLTS), Electron-Beam-Induced Current (EBIC), etc and will be correlated with the p-n junction results. The review is wrapped up in a summary followed by an outlook on future evolution and requirements.

Abstract: In this work microrelief transformation of the (001) GaAs surface due to thin Al film deposition by means of the CBE method has been observed. The growth process was monitored insitu using laser reflectometry. Investigations of samples formed, carried out using TEM-microscopy, show that one of the basic causes of the microrelief transformation is the laser assistance of metal growth. A laser with a low power is used in this work for Al layer composite control in CBE. It was found that, in spite of using a laser having a low power, it is possible to stimulate and guide the complex physical and chemical reactions between deposited Al atoms and the GaAs near-surface layer. It has been found that metal film growth with laser assistance is a non-equilibrium process. The shapes and dimensions of the grown islands depend upon the laser power.

Abstract: We have investigated the hydrogenation of the zinc acceptor in GaP and InP, and of the phosphorus acceptor in ZnTe, by computer modeling. We used a density-functional supercell code and pseudopotentials to deal with the core electrons. However zinc 3d electrons were explicitly taken to be valence electrons. We have determined the relaxed atomic geometry for seven hydrogen sites. We have found that, in the lowest total energy configuration, hydrogen sits in a bond centered position between zinc and arsenic atoms in all GaP, InP and ZnTe semiconductors and is bonded to the phosphorus atom. We found metastable states, by 0.4, 0.4 and 0.5 eV, for structures where H is antibonding to the phosphorus atom for GaP, InP and ZnTe, respectively. The calculated local vibrational modes (LVM) for the bond-centered configuration agree, within 1%, with the experimental values of 2379.0 cm-1 for GaP:Zn-H, 2287.7 cm-1 for InP:Zn-H and 2193 cm-1 for ZnTe:P-H. The isotopic shift due to the replacement of deuterium by hydrogen is reproduced by less than 2.5% using experimental data. The decrease in the LVM when going from GaP to ZnTe, as the perfect bond length increases, is also well-reproduced. A wag mode at 496 cm-1 and lower LVM, a doublet at 329 cm-1 and a singlet at 242 cm-1, are predicted for P-H in ZnTe.

Abstract: Using the first-principles self-consistent discrete variational method based upon density functional theory, we investigated the energetics and the electronic structure of the 3d impurities Ni and Co in a kink on the [100](010) edge dislocation (ED) in bcc iron. The calculated results show that the interatomic energies between the impurity atom and the neighboring host atoms decrease. The bonding for the impurity atom (Ni, Co) and the neighboring host Fe atoms is weaker than that for an Fe atom at the X site and the corresponding atoms in the clean kink. These results indicate that sideways motion of the kink in the <100>{010} ED is accelerated by an impurity atom such as Ni or Co and that, consequently, the presence of impurities increases the dislocation mobility, thus leading to solid-solution softening.

Abstract: This paper deals with the development of a theoretical model for reactive diffusion during new-phase formation when its volume fraction is negligible. A mathematical analysis of this physical model is carried out and an equation for mass balance at the interface is derived. The latter includes a correlation between the transport flux of nitrogen to the surface (J1) followed by both diffusion dissolution (Jdiff) and segregation at the defects due to chemical interaction with metal atoms (JR.). The analytical-experimental procedure for the determination of the coefficient of mass transfer which controls the density of the outer flux (J1) is proposed. The effect of temperature and time upon the kinetics of nitriding is estimated. The additive dependences of both the nitrogen concentration in a distant band and the depth of the diffusion zone upon time, temperature and pressure during isothermal exposure are shown. Peculiarities of the nitrogen concentration distribution at the interface, as a function of temperature of isothermal exposure, are found. It is established that, for a given duration of exposure, an increase in temperature does not always tend to increase the concentration of the impurity at the interface. This is caused by a more intense diffusion flow into the matrix. In accordance with the concept of time-independence of the surface concentration during saturation, the diffusion fluxes Jdiff → ∞ with decreasing time (τ→ 0). This artefact is eliminated by an equation, derived here, for a diffusion flux defined using new boundary conditions. The equations for calculating mass increase include the effect of segregation to the surface, which causes a deviation from a parabolic dependence of the mass change.

Abstract: Positron annihilation lifetime spectroscopy (PALS) is one of the nuclear techniques used in material science. (PALT) measurements are used to study the behaviour of the defect concentration in a set of AlSi10.9Mg0.17Sr0.06 alloys. It has been shown that positrons can become trapped at imperfect locations in solids, and that their mean lifetime can be influenced by changes in the concentration of such defects. No changes have been observed in the mean lifetime values following saturation of the defect concentration. The mean lifetime and trapping rates were studied for samples deformed up to 34.9 %. The concentrations of defects range vary from 5.194x1015 to 1.934x1018 cm-3 for thickness reductions of 2.2 to 34.9 %. The range of the dislocation density varies from 1.465x 108 to 5.454x1010 cm/cm3 over the same range of deformations.

Abstract: A model of discontinuous precipitation in binary polycrystalline alloys at low temperatures is presented. The proposed approach allows independent determination of the main parameters, including the interlamellar distance, the maximum velocity of the phase transformation front, and the concentration step at this boundary. This is achieved by using a set of equations for: 1) the mass transfer in the moving interphase boundary; 2) the balance of the entropy fluxes at the phase transformation front, and 3) the maximum rate of the free energy release under constraint of entropy balance. Concepts of mobility and linear interrelation between the driving force and velocity are not used explicitly. Comparison of the model calculation with the experimental results for the Pb-Sn system at different supersaturations is provided.

Abstract: The last remaining claim of a complete cancellation of the direct force in electromigrationis invalidated. In addition new numerical results are given for the magnitude of thedirect force on hydrogen in a metallic embedment, showing a screening of at most 40%. Thehydrogen potential used is obtained by an ab initio method.

Abstract: Low-temperature diffusion in thin films of the stable isotopes, 56Fe/57Fe, was studied by applying secondary ion mass spectrometry (SIMS). Processing of the concentration profiles obtained was done by using the Hall – Morabitto “median gradient” method. The bulk and intergrain selfdiffusion coefficients were determined.

Abstract: The axial displacements for Co2+ and Ni3+ in Al2O3 are theoretically investigated starting from the perturbation formulas of the EPR parameters for a 3d7 ion with high spin (S=3/2) and low spin (S=1/2) in trigonal symmetry, respectively. Based upon these studies, the Co2+ is found to shift towards the center of the oxygen octahedron by an amount
ZCo (≈ 0.03 Å) along the C3 axis, while the Ni3+ may suffer another axial displacement
ZNi (≈ −0.38 Å) away from the center of the octahedron. The calculated EPR parameters based upon the above axial displacements show good agreement with the observed values. The differences in the EPR parameters and the axial displacements for the two 3d7 ions are discussed.