A quantum model of charge capture and release onto/from deep traps

The rapid development of optical technologies and applications revealed the critical role of point defects affecting device performance. One of the powerful tools to study influence of defects on charge capture and recombination processes is thermoluminescence. The popular models behind thermoluminescence and carrier capture processes are semi-classic though. They offer good qualitative description, but implicitly exclude quantum nature of the accompanying parameters, such as frequency factors and capture cross sections. As a consequence, results obtained for a specific host material cannot be successfully extrapolated to other materials. Thus, the main purpose of our work is to introduce a reliable analytical model that describes non-radiative capture and release of electrons from/to the conduction band (CB). The proposed model is governed by Bose-Einstein statistics (for phonon occupation) and Fermi's golden rule (for resonant charge transfer between the trap and the CB). The constructed model offers a physical interpretation of the capture coefficients and frequency factors, and seamlessly includes the Coulomb neutral/attractive nature of traps. It connects the frequency factor to the overlap of wavefunctions of the delocalized CB and trap states, and suggests a strong dependence on the density of charge distribution, i.e. the ionicity/covalency of the chemical bonds within the host. Separation of the resonance condition from the accumulation/dissipation of phonons on the site leads to the conclusion that the capture cross-section does not necessarily depend on the trap depth. The model is verified by comparison to reported experimental data, showing good agreement. As such, the model generates reliable information about trap states whose exact nature is not completely understood and allows to do materials research in a more systematic way

QCL active region overheat in pulsed mode: effects of non-equilibrium heat dissipation on laser performance

Quantum cascade lasers are of high interest in the scientific community due to unique applications utilizing the emission in mid-IR range. The possible designs of QCL are quite limited and require careful engineering to overcome some crucial disadvantages. One of them is an active region (ARn) overheat, that significantly affects the laser characteristics in the pulsed operation mode. In this work we consider the effects related to the non-equilibrium temperature distribution, when thermal resistance formalism is irrelevant. We employ the heat equation and discuss the possible limitations and structural features stemming from the chemical composition of the AR. We show that the presence of alloys in the ARn structure fundamentally limits the heat dissipation in pulsed and CW regimes due to their low thermal conductivity. Also the QCL post-growths affects the thermal properties of a device only in (near)CW mode while it is absolutely invaluable in the pulsed mod

Modeling and Assessment of Afterglow Decay Curves from Thermally Stimulated Luminescence of Complex Garnets

Post-print (lokagerð höfundar)Afterglow is an important phenomenon in luminescent materials and can be desired (e.g., persistent phosphors) or undesired (e.g., scintillators). Understanding and predicting afterglow is often based on analysis of thermally stimulated luminescence (TSL) glow curves, assuming the presence of one or more discrete trap states. Here we present a new approach for the description of the time-dependent afterglow from TSL glow curves using a model with a distribution of trap depths. The method is based on the deconvolution of the energy dependent density of occupied traps derived from TSL glow curves using Tikhonov regularization. To test the validity of this new approach, the procedure is applied to experimental TSL and afterglow data for Lu1Gd2Ga3Al2O12:Ce ceramics codoped with 40 ppm of Yb3+ or Eu3+ traps. The experimentally measured afterglow curves are compared with simulations based on models with and without the continuous trap depth distribution. The analysis clearly demonstrates the presence of a distribution of trap depths and shows that the new approach gives a more accurate description of the experimentally observed afterglow. The new method will be especially useful in understanding and reducing undesired afterglow in scintillators.I.I.V, R.G.P and I.A.S. acknowledge support support from the Projects 14.Y26.31.0015 and 3.8884.2017/8.9 of the Ministry of Education and Science of the Russian Federation and Horizon2020 RISE project CoExAN.Peer Reviewe

New earnings survey 1995 Part A streamlines and summary analyses; description of the survey

SIGLEAvailable from British Library Document Supply Centre- DSC:6083.64(1995/A) / BLDSC - British Library Document Supply CentreGBUnited Kingdo

The model of the fullerene C

The model pseudopotentials of C60−, C60 and C60+ have been constructed on the base of the total electrostatic potentials obtained as a result of ab initio-based calculations. The radial distance dependence of the pseudopotential is obtained by averaging with respect to the spherical angles of the total electrostatic potential. The role of the electronic correlations is investigated by comparison results of using of the different exchange-correlation functional within the density functional theory. All pseudopotentials are fitted by the fine approximation functions and can be applied for molecular dynamics tasks

Active Region Overheating in Pulsed Quantum Cascade Lasers: Effects of Nonequilibrium Heat Dissipation on Laser Performance

Mid IR Quantum cascade lasers are of high interest for the scientific community due to their unique applications. However, the QCL designs require careful engineering to overcome some crucial disadvantages. One of them is active region (ARn) overheating, which significantly affects laser characteristics, even in the pulsed mode. In this work, we consider the effects related to the nonequilibrium temperature distribution when thermal resistance formalism is irrelevant. We employ the heat equation and discuss the possible limitations and structural features stemming from the chemical composition of the ARn. We show that the presence of solid solutions in the ARn structure fundamentally limits the heat dissipation in pulsed and CW regimes due to their low thermal conductivity compared with binary compounds. Also, the QCL postgrowths affect the thermal properties of a device closer to CW mode, while it is by far less important in the short-pulsed mode

Modeling and Assessment of Afterglow Decay Curves from Thermally Stimulated Luminescence of Complex Garnets

Afterglow is an important phenomenon in luminescent materials and can be desired (e.g., persistent phosphors) or undesired (e.g., scintillators). Understanding and predicting afterglow is often based on analysis of thermally stimulated luminescence (TSL) glow curves, assuming the presence of one or more discrete trap states. Here we present a new approach for the description of the time-dependent afterglow from TSL glow curves using a model with a distribution of trap depths. The method is based on the deconvolution of the energy dependent density of occupied traps derived from TSL glow curves using Tikhonov regularization. To test the validity of this new approach, the procedure is applied to experimental TSL and afterglow data for Lu 1 Gd 2 Ga 3 Al 2 O 12 :Ce ceramics codoped with 40 ppm of Yb 3+ or Eu 3+ traps. The experimentally measured afterglow curves are compared with simulations based on models with and without the continuous trap depth distribution. The analysis clearly demonstrates the presence of a distribution of trap depths and shows that the new approach gives a more accurate description of the experimentally observed afterglow. The new method will be especially useful in understanding and reducing undesired afterglow in scintillators

Complex Garnets : Microscopic Parameters Characterizing Afterglow

Light yield, time response, afterglow, and thermoluminescence of Ce-doped garnet scintillators and persistent luminescent materials are controlled by a complex interplay between recombination and trapping/detrapping processes. Extensive research has contributed to a good qualitative understanding of how traps, impurities, and the presence of Ce4+ affect the materials properties. In this work we present a quantitative model that can explain the thermoluminescence and afterglow behavior of complex garnets. In particular, the model allows the determination of capture rates and effective capture radii for electrons by traps and recombination centers in Lu1Gd2Ga3Al2O12:Ce garnet ceramics. The model relies on solving a set of coupled rate equations describing charge carrier trapping and recombination in garnet ceramics doped with Ce and also codoped with a known concentration of an intentionally added electron trap, Yb3+. The model is supported by analysis of a complete set of experimental data on afterglow, rise-time kinetics, and X-ray excited luminescence which show that thermoluminescence/afterglow are governed by trapping/detrapping processes following interactive kinetics with dominant recombination channel. The underlying reason for dominant recombination is the presence of a small fraction of Ce4+ (≈2 ppm in the 0.2% Ce-doped sample) which have a very high capture cross section (≈2.7 Å effective radius) because of the Coulomb attractive nature of this recombination center. The quantitative insights on capture cross sections and concentrations of Ce4+ help to better understand the optical properties of Ce-doped garnet scintillators and persistent luminescent materials and serve in optimizing synthesis procedures by tuning the Ce3+/Ce4+ ratio by codoping with divalent cations and annealing in an oxygen-containing atmosphere