Diffusion of muonium and hydrogen in diamond

Jump rates of muonium and hydrogen in diamond are calculated by quantum transition-state theory, based on the path-integral centroid formalism. This technique allows us to study the influence of vibrational mode quantization on the effective free-energy barriers Delta F for impurity diffusion, which are renormalized respect to the zero-temperature classical calculation. For the transition from a tetrahedral (T) site to a bond-center (BC) position, Delta F is larger for hydrogen than for muonium, and the opposite happens for the transition from BC to T. The calculated effective barriers decrease for rising temperature, except for the muonium transition from T to BC sites. Calculated jump rates are in good agreement to available muon spin rotation data.Comment: 4 pages, 3 figure

Different origin of the ferromagnetic order in (Ga,Mn)As and (Ga,Mn)N

The mechanism for the ferromagnetic order of (Ga,Mn)As and (Ga,Mn)N is extensively studied over a vast range of Mn concentrations. We calculate the electronic structures of these materials using density functional theory in both the local spin density approximation and the LDA+U scheme, that we have now implemented in the code SIESTA. For (Ga,Mn)As, the LDA+U approach leads to a hole mediated picture of the ferromagnetism, with an exchange constant $N\beta$ =~ -2.8 eV. This is smaller than that obtained with LSDA, which overestimates the exchange coupling between Mn ions and the As $p$ holes. In contrast, the ferromagnetism in wurtzite (Ga,Mn)N is caused by the double-exchange mechanism, since a hole of strong $d$ character is found at the Fermi level in both the LSDA and the LDA+U approaches. In this case the coupling between the Mn ions decays rapidly with the Mn-Mn separation. This suggests a two phases picture of the ferromagnetic order in (Ga,Mn)N, with a robust ferromagnetic phase at large Mn concentration coexisting with a diluted weak ferromagnetic phase.Comment: 12 pages, 11 figure

Lattice location and thermal stability of implanted Fe in ZnO

The emission channeling technique was applied to evaluate the lattice location of implanted $^{59}$Fe in single-crystalline ZnO. The angular distribution of $\beta^{-}$- particles emitted by $^{59}$Fe was monitored with a position-sensitive electron detector, following 60-keV low dose ($2.0 \times 10^{13}$ cm$^{-2}$) room-temperature implantation of the precursor isotope $^{59}$Mn. The emission patterns around the [0001], [1102], [1101] and [2113] directions revealed that following annealing at 800°C 95(8)% of the Fe atoms occupy ideal substitutional Zn sites with root mean square displacements of 0.06-0.09 Å

Carrier-mediated ferromagnetic ordering in Mn ion-implanted p+GaAs:C

Highly p-type GaAs:C was ion-implanted with Mn at differing doses to produce Mn concentrations in the 1 - 5 at.% range. In comparison to LT-GaAs and n+GaAs:Si samples implanted under the same conditions, transport and magnetic properties show marked differences. Transport measurements show anomalies, consistent with observed magnetic properties and with epi- LT-(Ga,Mn)As, as well as the extraordinary Hall Effect up to the observed magnetic ordering temperature (T_C). Mn ion-implanted p+GaAs:C with as-grown carrier concentrations > 10^20 cm^-3 show remanent magnetization up to 280 K

Hydrogen and muonium in diamond: A path-integral molecular dynamics simulation

Isolated hydrogen, deuterium, and muonium in diamond have been studied by path-integral molecular dynamics simulations in the canonical ensemble. Finite-temperature properties of these point defects were analyzed in the range from 100 to 800 K. Interatomic interactions were modeled by a tight-binding potential fitted to density-functional calculations. The most stable position for these hydrogenic impurities is found at the C-C bond center. Vibrational frequencies have been obtained from a linear-response approach, based on correlations of atom displacements at finite temperatures. The results show a large anharmonic effect in impurity vibrations at the bond center site, which hardens the vibrational modes with respect to a harmonic approximation. Zero-point motion causes an appreciable shift of the defect level in the electronic gap, as a consequence of electron-phonon interaction. This defect level goes down by 70 meV when replacing hydrogen by muonium.Comment: 11 pages, 8 figure

Diffusion of hydrogen in crystalline silicon

The coefficient of diffusion of hydrogen in crystalline silicon is calculated using tight-binding molecular dynamics. Our results are in good quantitative agreement with an earlier study by Panzarini and Colombo [Phys. Rev. Lett. 73, 1636 (1994)]. However, while our calculations indicate that long jumps dominate over single hops at high temperatures, no abrupt change in the diffusion coefficient can be observed with decreasing temperature. The (classical) Arrhenius diffusion parameters, as a consequence, should extrapolate to low temperatures.Comment: 4 pages, including 5 postscript figures; submitted to Phys. Rev. B Brief Repor

Implantation-produced structural damage in InxGa1-xN

The influence of In content on the accumulation of structural damage in InxGa1-xN films (with x=0.0-0.2) under heavy-ion bombardment is studied by a combination of Rutherford backscattering/channeling spectrometry and transmission electron microscopy. Results show that an increase in In concentration strongly suppresses dynamic annealing processes and, hence, enhances the buildup of stable lattice disorder in InGaN under ion bombardment, A comparison of the damage buildup behavior and defect microstructure in InGaN with those in GaN is presented. Results of this study may have significant technological implications for estimation and control of implantation-produced damage in InGaN/GaN heterostructures. (C) 2001 American Institute of Physics

Proprotein convertase expression and localization in epidermis: evidence for multiple roles and substrates

Specific proteolysis plays an important role in the terminal differentiation of keratinocytes in the epidermis and several types of proteases have been implicated in this process. The proprotein convertases (PCs) are a family of Ca 2+ -dependent serine proteases involved in processing and activation of several types of substrates. In this study we examined the expression and some potential substrates of PCs in epidermis. Four PCs are expressed in epidermis: furin, PACE4, PC5/6 and PC7/8. Furin is detected in two forms, either with or without the transmembrane domain, suggesting occurrence of post-translational cleavage to produce a soluble enzyme. In addition the furin active site has differential accessibility in the granular layer of the epidermis relative to the basal layer, whereas antibodies to the transmembrane domain stain both layers. These findings suggest that furin has access to different types of substrates in granular cells as opposed to basal cells. PC7/8, in contrast, is detected throughout the epidermis with antibodies to both the transmembrane and active site and no soluble form observed. A peptide PC inhibitor (dec-RVKR-CMK) inhibits cleavage of Notch-1, a receptor important in cell fate determination that is found throughout the epidermis. Profilaggrin, found in the granular layer, is specifically cleaved by furin and PACE4 in vitro at a site between the amino terminus and the first filaggrin repeat. This work suggests that the PCs play multiple roles during epidermal differentiation.Peer Reviewedhttp://deepblue.lib.umich.edu/bitstream/2027.42/75749/1/j.1600-0625.2001.010003193.x.pd