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- ItemMultiscale simulations of the electronic structure of III-nitride quantum wells with varied indium content: Connecting atomistic and continuum-based models(Melville, NY : American Inst. of Physics, 2021) Chaudhuri, D.; O’Donovan, M.; Streckenbach, T.; Marquardt, O.; Farrell, P.; Patra, S.K.; Koprucki, T.; Schulz, S.Carrier localization effects in III-N heterostructures are often studied in the frame of modified continuum-based models utilizing a single-band effective mass approximation. However, there exists no comparison between the results of a modified continuum model and atomistic calculations on the same underlying disordered energy landscape. We present a theoretical framework that establishes a connection between atomistic tight-binding theory and continuum-based electronic structure models, here a single-band effective mass approximation, and provide such a comparison for the electronic structure of (In,Ga)N quantum wells. In our approach, in principle, the effective masses are the only adjustable parameters since the confinement energy landscape is directly obtained from tight-binding theory. We find that the electronic structure calculated within effective mass approximation and the tight-binding model differ noticeably. However, at least in terms of energy eigenvalues, an improved agreement between the two methods can be achieved by adjusting the band offsets in the continuum model, enabling, therefore, a recipe for constructing a modified continuum model that gives a reasonable approximation of the tight-binding energies. Carrier localization characteristics for energetically low lying, strongly localized states differ, however, significantly from those obtained using the tight-binding model. For energetically higher lying, more delocalized states, good agreement may be achieved. Therefore, the atomistically motivated continuum-based single-band effective mass model established provides a good, computationally efficient alternative to fully atomistic investigations, at least at when targeting questions related to higher temperatures and carrier densities in (In,Ga)N systems.
- ItemPinning and trapped field in MgB2- and MT-YBaCuO bulk superconductors manufactured under pressure(Bristol : IOP Publ., 2016) Prikhna, T.; Eisterer, M.; Chaud, X.; Weber, H.W.; Habisreuther, T.; Moshchil, V.; Kozyrev, A.; Shapovalov, A.; Gawalek, W.; Wu, M.; Litzkendorf, D.; Goldacker, W.; Sokolovsky, V.; Shaternik, V.; Rabier, J.; Joulain, A.; Grechnev, G.; Boutko, V.; Gusev, A.; Shaternik, A.; Barvitskiy, P.The relevant pinning centers of Abrikosov vortices in MgB2-based materials are oxygen-enriched Mg-B-O inclusions or nanolayers and inclusions of MgBx (x>4) phases. The high critical current densities, jc, of 106 and 103A/cm2 at 1 and 8.5 T, respectively, at 20 K can be achieved in polycrystalline materials (prepared at 2 GPa) containing a large amount of admixed oxygen. Besides, oxygen can be incorporated into the MgB2 structure in small amounts (MgB1.5O0.5), which is supported by Auger studies and calculations of the DOS and the binding energy. The jc of melt textured YBa2Cu3O7-δ (or Y123)-based superconductors (MT-YBaCuO) depends not only on the perfectness of texture and the amount of oxygen in the Y123 structure, but also on the density of twins and micro-cracks formed during the oxygenation (due to shrinking of the c-lattice parameter). The density of twins and microcracks increases with the reduction of the distance between Y2BaCuO5 (Y211) inclusions in Y123. At 77 K jc=8·104 A/cm2 in self-field and jc=103 A/cm2 at 10 T were found in materials oxygenated at 16 MPa for 3 days with a density of twins of 22–35 per µm (thickness of the lamellae: 45-30 nm) and a density of micro-cracks of 200–280 per mm. Pinning can occur at the points of intersection between the Y123 twin planes and the Y211 inclusions. MTYBaCuO at 77 K can trap 1.4 T (38×38×17 mm, oxygenated at 0.1 MPa for 20 days) and 0.8 T (16 mm in diameter and 10 mm thick with 0.45 mm holes oxygenated at 10 MPa for 53 h). The sensitivity of MgB2 to magnetic field variations (flux jumps) complicates estimates of the trapped field. At 20 K 1.8 T was found for a block of 30 mm in diameter and a thickness of 7.5 mm and 1.5 T (if the magnetic field was increased at a rate of 0.1 T) for a ring with dimensions 24×18 mm and a thickness of 8 mm.
- ItemPhoton-electron coincidence experiments at synchrotron radiation facilities with arbitrary bunch modes([S.l.] : American Institute of Physics, 2021) Ozga, C.; Honisch, C.; Schmidt, P.; Holzapfel, X.; Zindel, C.; Küstner-Wetekam, C.; Richter, C.; Hergenhahn, U.; Ehresmann, A.; Knie, A.; Hans, A.We report the adaptation of an electron–photon coincidence detection scheme to the multibunch hybrid mode of the synchrotron radiation source BESSY II (Helmholtz-Zentrum Berlin). Single-event-based data acquisition and evaluation, combined with the use of relative detection times between the coincident particles, enable the acquisition of proper coincidence signals from a quasi-continuous excitation pattern. The background signal produced by accidental coincidences in the time difference representation is modeled using the non-coincident electron and photon spectra. We validate the method by reproducing previously published results, which were obtained in the single bunch mode, and illustrate its usability for the multibunch hybrid mode by investigating the photoionization of CO2 into CO+2 B satellite states, followed by subsequent photon emission. The radiative lifetime obtained and the electron binding energy are in good agreement with earlier publications. We expect this method to be a useful tool to extend the versatility of coincident particle detection to arbitrary operation modes of synchrotron radiation facilities and other excitation sources without the need for additional experimental adjustments.