Native point defects in GaSb

We have applied positron annihilation spectroscopy to study native point defects in Te-doped n-type and nominally undoped p-type GaSb single crystals. The results show that the dominant vacancy defect trapping positrons in bulk GaSb is the gallium monovacancy. The temperature dependence of the average positron lifetime in both p- and n-type GaSb indicates that negative ion type defects with no associated open volume compete with the Ga vacancies. Based on comparison with theoretical predictions, these negative ions are identified as Ga antisites. The concentrations of these negatively charged defects exceed the Ga vacancy concentrations nearly by an order of magnitude. We conclude that the Ga antisite is the native defect responsible for p-type conductivity in GaSb single crystals.Peer reviewe

Instability of the Sb vacancy in GaSb

We demonstrate that the instability of the Sb vacancy in GaSb leads to a further increase in the acceptor-type defect concentration in proton irradiated undoped, p-type GaSb. Using positron annihilation spectroscopy in situ with 10 MeV proton irradiation at 35 K, we find that the irradiation produces both native vacancy defects in GaSb. However, the Sb vacancy is unstable above temperatures of 150 K and undergoes a transition resulting in a Ga vacancy and a Ga antisite. The activation energy of this transition is determined to be 0.6 eV +/- 0.1 eV. Our results are in line with the established amphoteric defect model and prove that the instability of the Sb vacancy in GaSb has a profound role on the native defect concentration in GaSb.Peer reviewe

Spin dependent electron transport through a magnetic resonant tunneling diode

Electron transport properties in nanostructures can be modeled, for example, by using the semiclassical Wigner formalism or the quantum mechanical Green's functions formalism. We compare the performance and the results of these methods in the case of magnetic resonant-tunneling diodes. We have implemented the two methods within the self-consistent spin-density-functional theory. Our numerical implementation of the Wigner formalism is based on the finite-difference scheme whereas for the Green's function formalism the finite-element method is used. As a specific application, we consider the device studied by Slobodskyy et all. [Phys. Rev. Lett. 90, 246601 (2003)] and analyze their experimental results. The Wigner and Green's functions formalisms give similar electron densities and potentials but, surprisingly, the former method requires much more computer resources in order to obtain numerically accurate results for currents. Both of the formalisms can successfully be used to model magnetic resonant tunneling diode structures.Comment: 13 pages and 12 figure

Hole density and acceptor-type defects in MBE-grown GaSb1-x Bi x

We study acceptor-type defects in GaSb1−xBix grown by molecular beam epitaxy. The hole density of the GaSb1−xBix layers, from capacitance-voltage measurements of Schottky diodes, is higher than that of the binary alloys and increases linearly up to 1019 − cm 3 with the Bi content. Positron annihilation spectroscopy and ab initio calculations show that both Ga vacancies and Ga antisites contribute to the hole density and that the proportion of the two acceptor-type defects vary in the layers. The modification of the band gap due to Bi incorporation as well as the growth parameters are suggested to affect the concentrations of acceptor-type defects

Clustering of vacancy defects in high-purity semi-insulating SiC

Positron lifetime spectroscopy was used to study native vacancy defects in semi-insulating silicon carbide. The material is shown to contain (i) vacancy clusters consisting of 4--5 missing atoms and (ii) Si vacancy related negatively charged defects. The total open volume bound to the clusters anticorrelates with the electrical resistivity both in as-grown and annealed material. Our results suggest that Si vacancy related complexes compensate electrically the as-grown material, but migrate to increase the size of the clusters during annealing, leading to loss of resistivity.Comment: 8 pages, 5 figure

Point defect balance in epitaxial GaSb

Positron annihilation spectroscopy in both conventional and coincidence Doppler broadening mode is used for studying the effect of growth conditions on the point defect balance in GaSb:Bi epitaxial layers grown by molecular beam epitaxy. Positron annihilation characteristics in GaSb are also calculated using density functional theory and compared to experimental results. We conclude that while the main positron trapping defect in bulk samples is the Ga antisite, the Ga vacancy is the most prominent trap in the samples grown by molecular beam epitaxy. The results suggest that the p–type conductivity is caused by different defects in GaSb grown with different methods.Peer reviewe

Direct observation of mono-vacancy and self-interstitial recovery in tungsten

Reliable and accurate knowledge of the physical properties of elementary point defects is crucial for predictive modeling of the evolution of radiation damage in materials employed in harsh conditions. We have applied positron annihilation spectroscopy to directly detect mono-vacancy defects created in tungsten through particle irradiation at cryogenic temperatures, as well as their recovery kinetics. We find that efficient self-healing of the primary damage takes place through Frenkel pair recombination already at 35 K, in line with an upper bound of 0.1 eV for the migration barrier of self-interstitials. Further self-interstitial migration is observed above 50 K with activation energies in the range of 0.12-0.42 eV through the release of the self-interstitial atoms from impurities and structural defects and following recombination with mono-vacancies. Mono-vacancy migration is activated at around 550 K with a migration barrier of E-m(V) = 1.85 +/- 0.05 eV. (C) 2019 Author(s).Peer reviewe

Environmentally driven extinction and opportunistic origination explain fern diversification patterns.

Combining palaeontological and neontological data offers a unique opportunity to investigate the relative roles of biotic and abiotic controls of species diversification, and the importance of origination versus extinction in driving evolutionary dynamics. Ferns comprise a major terrestrial plant radiation with an extensive evolutionary history providing a wealth of modern and fossil data for modelling environmental drivers of diversification. Here we develop a novel Bayesian model to simultaneously estimate correlations between diversification dynamics and multiple environmental trajectories. We estimate the impact of different factors on fern diversification over the past 400 million years by analysing a comprehensive dataset of fossil occurrences and complement these findings by analysing a large molecular phylogeny. We show that origination and extinction rates are governed by fundamentally different processes: originations depend on within-group diversity but are largely unaffected by environmental changes, whereas extinctions are strongly affected by external factors such as climate and geology. Our results indicate that the prime driver of fern diversity dynamics is environmentally driven extinction, with origination being an opportunistic response to diminishing ecospace occupancy

Identification of the VAl-ON defect complex in AlN single crystals

In this Rapid Communication, we report positron annihilation results on in-grown and proton irradiation-induced vacancies and their decoration in aluminium nitride (AlN) single crystals. By combining positron lifetime and coincidence Doppler measurements with ab initio calculations, we identify in-grown VAl−ON complexes in the concentration range 10 exp 18 cm exp −3 as the dominant form of VAl in the AlN single crystals, while isolated VAl were introduced by irradiation. Further, we identify the UV absorption feature at around 360 nm that involves VAl.Peer reviewe