Optical detection of magnetic resonance on anion antisites in indium phosphide

The paper describes the application of optically detected magnetic resonance (ODMR) methods to the identification of antisite defects in the III–V semiconductor InP. In III–V semiconductors the high abundance of nuclei with large nuclear spins greatly limits the resolution of magnetic resonance techniques. In particular, ODMR signals characteristic of the P_In antisite in InP with slightly differentg-values and hyperfine splitting have been observed. The corresponding centres cannot be distinguished with confidence without the higher resolution of electron-nuclear double resonance (ENDOR). Magnetic resonance signals of the antisite in InP are too weak to allow such measurements in the conventional detection mode, but using optically detected ENDOR (ODENDOR) in absorption as well as in emission, the isolated P_In antisite and at least one other antisite defect were identified. Moreover, the energy position of the P _In ⁺ /P _In ⁺⁺ level in the bandgap was determined from the optical transitions involved.     

<Superscript>57</Superscript>Fe emission Mössbauer spectroscopy following dilute implantation of <Superscript>57</Superscript>Mn into In <Subscript>2</Subscript>O<Subscript>3</Subscript>

Emission Mössbauer spectroscopy has been utilised to characterize dilute ⁵⁷Fe impurities in In ₂O₃ following implantation of ⁵⁷Mn (T _1/2 = 1.5 min.) at the ISOLDE facility at CERN. From stoichiometry considerations, one would expect Fe to adopt the valence state 3 + , substituting In ³⁺, however the spectra are dominated by spectral lines due to paramagnetic Fe²⁺. Using first principle calculations in the framework of density functional theory (DFT), the density of states of dilute Fe and the hyperfine parameters have been determined. The hybridization between the 3d-band of Fe and the 2p band of oxygen induces a spin-polarized hole on the O site close to the Fe site, which is found to be the cause of the Fe²⁺ state in In ₂O₃. Comparison of experimental data to calculated hyperfine parameters suggests that Fe predominantly enters the 8b site rather than the 24d site of the cation site in the Bixbyite structure of In ₂O₃. A gradual transition from an amorphous to a crystalline state is observed with increasing implantation/annealing temperature.     

Emission Mössbauer spectroscopy study of fluence dependence of paramagnetic relaxation in Mn/Fe implanted ZnO

Emission Mössbauer Spectroscopy following the implantation of radioactive precursor isotope ⁵⁷Mn⁺ (T _1/2= 1.5 min) into ZnO single crystals at ISOLDE/CERN shows that a large fraction of ⁵⁷Fe atoms produced in the ⁵⁷Mn beta decay is created as paramagnetic Fe³⁺ with relatively long spin-lattice relaxation times. Here we report on ZnO pre-implanted with ⁵⁶Fe to fluences of 2×10¹³, 5×10 ¹³ and 8 × 10¹³ ions/cm² in order to investigate the dependence of the paramagnetic relaxation rate of Fe³⁺ on fluence. The spectra are dominated by magnetic features displaying paramagnetic relaxation effects. The extracted spin-lattice relaxation rates show a slight increase with increasing ion fluence at corresponding temperatures and the area fraction of Fe³⁺ at room temperature reaches a maximum contribution of 80(3)% in the studied fluence range.     

Formation of phosphino-substituted isocyanate by reaction of CO2 with group 2 complexes based on the (Me3Si)(i-Pr2P)NH ligand

The group 2 complexes [(Me(3)Si)(i-Pr(2)P)N](2)M(THF)(x) (M = Mg, x = 1; M = Ca/Sr, x = 2) as well as an unusual dimagnesium complex {[(Me(3)Si)(i-Pr(2)P)N](3)Mg}Mg(n-C(4)H(9)) have been prepared and characterized by multinuclear NMR spectroscopy and single crystal X-ray diffraction. Each complex was shown to react with CO(2) under extremely mild conditions (15 min, 1 atm, room temperature) to give the isocyanate (i-Pr)(2)P-N═C═O. The independent syntheses of (i-Pr)(2)P-N═C═O and the carbodiimide dimer [(i-Pr)(2)PNCNP(i-Pr)(2)](2) are also reported.     

Vacancy defects as compensating centers in Mg-doped GaN

We apply positron annihilation spectroscopy to identify V(N)-Mg(Ga) complexes as native defects in Mg-doped GaN. These defects dissociate in postgrowth annealings at 500-800 degrees C. We conclude that V(N)-Mg(Ga) complexes contribute to the electrical compensation of Mg as well as the activation of p-type conductivity in the annealing. The observation of V(N)-Mg(Ga) complexes confirms that vacancy defects in either the N or Ga sublattice are abundant in GaN at any position of the Fermi level during growth, as predicted previously by theoretical calculations.     

Expansion of differential cross sections determined from classical trajectory studies in a series of legendre polynomials

A novel method to compute differential cross sections from classical trajectory studies is presented. The cross section is expanded exactly in a series of Legendre polynomials. The series coefficients are computed directly from the deflection angles determined from each trajectory. Model calculations presented here show that 3000 trajectories are often enough to give very accurate differential cross sections.     

Hekla cold springs (Iceland): groundwater mixing with magmatic gases

We have analysed the chemical and stable isotope compositions of four spring waters situated just northwest of the Hekla volcano, where cold water emerges from the base of the lava flows. The stable isotope ratios of water (H, O), dissolved inorganic carbon (C) and sulphate (S) were used to determine whether magmatic gases are mixing with the groundwater. The waters can be characterised as Na-HCO₃ type. The results show that deep-seated gases mix with groundwater, substantially affecting the concentration of solutes and the isotopic composition of dissolved carbon and sulphate.