887 research outputs found
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 =~ -2.8 eV. This is smaller
than that obtained with LSDA, which overestimates the exchange coupling between
Mn ions and the As holes.
In contrast, the ferromagnetism in wurtzite (Ga,Mn)N is caused by the
double-exchange mechanism, since a hole of strong 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 Fe in single-crystalline ZnO. The angular distribution of - particles emitted by Fe was monitored with a position-sensitive electron detector, following 60-keV low dose ( cm) room-temperature implantation of the precursor isotope 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
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