13 results
Search Results
Now showing 1 - 10 of 13
- ItemElectronic materials with a wide band gap: Recent developments(Chester : International Union of Crystallography, 2014) Klimm, D.The development of semiconductor electronics is reviewed briefly, beginning with the development of germanium devices (band gap E g = 0.66 eV) after World War II. A tendency towards alternative materials with wider band gaps quickly became apparent, starting with silicon (E g = 1.12 eV). This improved the signal-to-noise ratio for classical electronic applications. Both semiconductors have a tetrahedral coordination, and by isoelectronic alternative replacement of Ge or Si with carbon or various anions and cations, other semiconductors with wider E g were obtained. These are transparent to visible light and belong to the group of wide band gap semiconductors. Nowadays, some nitrides, especially GaN and AlN, are the most important materials for optical emission in the ultraviolet and blue regions. Oxide crystals, such as ZnO and β-Ga2O3, offer similarly good electronic properties but still suffer from significant difficulties in obtaining stable and technologically adequate p-type conductivity.
- ItemHeteroepitaxial growth of T-Nb2O5 on SrTiO3(Basel : MDPI, 2018) Boschker, Jos E.; Markurt, Toni; Albrecht, Martin; Schwarzkopf, JuttaThere is a growing interest in exploiting the functional properties of niobium oxides in general and of the T-Nb2O5 polymorph in particular. Fundamental investigations of the properties of niobium oxides are, however, hindered by the availability of materials with sufficient structural perfection. It is expected that high-quality T-Nb2O5 can be made using heteroepitaxial growth. Here, we investigated the epitaxial growth of T-Nb2O5 on a prototype perovskite oxide, SrTiO3. Even though there exists a reasonable lattice mismatch in one crystallographic direction, these materials have a significant difference in crystal structure: SrTiO3 is cubic, whereas T-Nb2O5 is orthorhombic. It is found that this difference in symmetry results in the formation of domains that have the T-Nb2O5 c-axis aligned with the SrTiO3 <001>s in-plane directions. Hence, the number of domain orientations is four and two for the growth on (100)s- and (110)s-oriented substrates, respectively. Interestingly, the out-of-plane growth direction remains the same for both substrate orientations, suggesting a weak interfacial coupling between the two materials. Despite challenges associated with the heteroepitaxial growth of T-Nb2O5, the T-Nb2O5 films presented in this paper are a significant improvement in terms of structural quality compared to their polycrystalline counterparts.
- ItemScanning X-ray nanodiffraction from ferroelectric domains in strained K0.75Na0.25NbO3 epitaxial films grown on (110) TbScO3(Copenhagen : Munksgaard, 2017) Schmidbauer, Martin; Hanke, Michael; Kwasniewski, Albert; Braun, Dorothee; von Helden, Leonard; Feldt, Christoph; Leake, Steven John; Schwarzkopf, JuttaScanning X-ray nanodiffraction on a highly periodic ferroelectric domain pattern of a strained K0.75Na0.25NbO3 epitaxial layer has been performed by using a focused X-ray beam of about 100 14;nm probe size. A 90°-rotated domain variant which is aligned along [1 2]TSO has been found in addition to the predominant domain variant where the domains are aligned along the [12]TSO direction of the underlying (110) TbScO3 (TSO) orthorhombic substrate. Owing to the larger elastic strain energy density, the 90°-rotated domains appear with significantly reduced probability. Furthermore, the 90°-rotated variant shows a larger vertical lattice spacing than the 0°-rotated domain variant. Calculations based on linear elasticity theory substantiate that this difference is caused by the elastic anisotropy of the K0.75Na0.25NbO3 epitaxial layer.
- ItemQuasi-Transient Calculation of Czochralski Growth of Ge Crystals Using the Software Elmer(Basel : MDPI, 2019) Miller, Wolfram; Abrosimov, Nikolay; Fischer, Jörg; Gybin, Alexander; Juda, Uta; Kayser, Stefan; Janicskó-Csáthy, JószefA numerical scheme was developed to compute the thermal and stress fields of the Czochralski process in a quasi-time dependent mode. The growth velocity was computed from the geometrical changes in melt and crystal due to pulling for every stage, for which the thermal and stress fields were computed by using the open source software Elmer. The method was applied to the Czochralski growth of Ge crystals by inductive heating. From a series of growth experiments, we chose one as a reference to check the validity of the scheme with respect to this Czochralski process. A good agreement both for the shapes of the melt/crystal interface at various time steps and the change in power consumption with process time was observed. © 2019 by the authors. Licensee MDPI, Basel, Switzerland.
- ItemNumerical modelling of the czochralski growth of β-Ga2O3(Basel : MDPI, 2017) Miller, Wolfram; Böttcher, Klaus; Galazka, Zbigniew; Schreuer, JürgenOur numerical modelling of the Czochralski growth of single crystalline β-Ga2O3 crystals (monoclinic symmetry) starts at the 2D heat transport analysis within the crystal growth furnace, proceeds with the 3D heat transport and fluid flow analysis in the crystal-melt-crucible arrangement and targets the 3D thermal stress analysis within the β-Ga2O3 crystal. In order to perform the stress analysis, we measured the thermal expansion coefficients and the elastic stiffness coefficients in two samples of a β-Ga2O3 crystal grown at IKZ. Additionally, we analyse published data of β-Ga2O3 material properties and use data from literature for comparative calculations. The computations were performed by the software packages CrysMAS, CGsim, Ansys-cfx and comsol Multiphysics. By the hand of two different thermal expansion data sets and two different crystal orientations, we analyse the elastic stresses in terms of the von-Mises stress.
- ItemREScO3 Substrates—Purveyors of Strain Engineering(Weinheim : Wiley-VCH, 2019) Klimm, Detlef; Guguschev, Christo; Ganschow, Steffen; Bickermann, Matthias; Schlom, Darrell G.The thermodynamic and crystallographic background for the development of substrate crystals that are suitable for the epitaxial deposition of biaxially strained functional perovskite layers is reviewed. In such strained layers the elastic energy delivers an additional contribution to the Gibbs free energy, which allows the tuning of physical properties and phase transition temperatures to desired values. For some oxide systems metastable phases can even be accessed. Rare-earth scandates, REScO3, are well suited as substrate crystals because they combine mechanical and chemical stability in the epitaxy process with an adjustable range of pseudo-cubic lattice parameters in the 3.95 to 4.02 Å range. To further tune the lattice parameters, chemical substitution for the RE or Sc is possible. © 2019 The Authors. Published by WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim
- ItemLithium metal penetration induced by electrodeposition through solid electrolytes: Example in single-crystal Li6La3ZrTaO12 garnet(Pennington, NJ : Electrochemical Society, 2018) Swamy, Tushar; Park, Richard; Sheldon, Brian W.; Rettenwander, Daniel; Porz, Lukas; Berendts, Stefan; Uecker, Reinhard; Carter, W. Craig; Chiang, Yet-MingSolid electrolytes potentially enable rechargeable batteries with lithium metal anodes possessing higher energy densities than today’s lithium ion batteries. To do so the solid electrolyte must suppress instabilities that lead to poor coulombic efficiency and short circuits. In this work, lithium electrodeposition was performed on single-crystal Li6La3ZrTaO12 garnets to investigate factors governing lithium penetration through brittle electrolytes. In single crystals, grain boundaries are excluded as paths for lithium metal propagation. Vickers microindentation was used to introduce surface flaws of known size. However, operando optical microscopy revealed that lithium metal penetration propagates preferentially from a different, second class of flaws. At the perimeter of surface current collectors smaller in size than the lithium source electrode, an enhanced electrodeposition current density causes lithium filled cracks to initiate and grow to penetration, even when large Vickers defects are in proximity. Modeling the electric field distribution in the experimental cell revealed that a 5-fold enhancement in field occurs within 10 micrometers of the electrode edge and generates high local electrochemomechanical stress. This may determine the initiation sites for lithium propagation, overriding the presence of larger defects elsewhere.
- ItemFemtosecond laser-assisted fabrication of chalcopyrite micro-concentrator photovoltaics(Frankfurt, M. : Beilstein-Institut zur Förderung der Chemischen Wissenschaften, 2018) Ringleb, Franziska; Andree, Stefan; Heidmann, Berit; Bonse, Jörn; Eylers, Katharina; Ernst, Owen; Boeck, Torsten; Schmid, Martina; Krüger, JörgMicro-concentrator solar cells offer an attractive way to further enhance the efficiency of planar-cell technologies while saving absorber material. Here, two laser-based bottom-up processes for the fabrication of regular arrays of CuInSe2 and Cu(In,Ga)Se2 microabsorber islands are presented, namely one approach based on nucleation and one based on laser-induced forward transfer. Additionally, a procedure for processing these microabsorbers to functioning micro solar cells connected in parallel is demonstrated. The resulting cells show up to 2.9% efficiency and a significant efficiency enhancement under concentrated illumination.
- ItemFerroelectric Self-Poling in GeTe Films and Crystals(Basel : MDPI, 2019) Kriegner, Dominik; Springholz, Gunther; Richter, Carsten; Pilet, Nicolas; Müller, Elisabeth; Capron, Marie; Berger, Helmut; Holý, Václav; Dil, J. Hugo; Krempaský, JurajFerroelectric materials are used in actuators or sensors because of their non-volatile macroscopic electric polarization. GeTe is the simplest known diatomic ferroelectric endowed with exceedingly complex physics related to its crystalline, amorphous, thermoelectric, and—fairly recently discovered—topological properties, making the material potentially interesting for spintronics applications. Typically, ferroelectric materials possess random oriented domains that need poling to achieve macroscopic polarization. By using X-ray absorption fine structure spectroscopy complemented with anomalous diffraction and piezo-response force microscopy, we investigated the bulk ferroelectric structure of GeTe crystals and thin films. Both feature multi-domain structures in the form of oblique domains for films and domain colonies inside crystals. Despite these multi-domain structures which are expected to randomize the polarization direction, our experimental results show that at room temperature there is a preferential ferroelectric order remarkably consistent with theoretical predictions from ideal GeTe crystals. This robust self-poled state has high piezoelectricity and additional poling reveals persistent memory effects. © 2019 by the authors. Licensee MDPI, Basel, Switzerland.
- ItemThe electronic structure and the formation of polarons in Mo-doped BiVO4 measured by angle-resolved photoemission spectroscopy(London : RSC Publishing, 2019) Mohamed, Mansour; May, Matthias M.; Kanis, Michael; Brützam, Mario; Uecker, Reinhard; van de Krol, Roel; Janowitz, Christoph; Mulazzi, MattiaWe experimentally investigated the electronic structure of Mo-doped BiVO4 high-quality single-crystals with synchrotron radiation-excited angle-resolved photoelectron spectroscopy (ARPES). By photon-energy dependent ARPES, we measured the bulk-derived valence band dispersion along the direction normal to the (010) cleavage plane, while the dispersion along the in-plane directions is obtained by angle-dependent measurements at fixed photon energy. Our data show that the valence band has a width of about 4.75 eV and is composed of many peaks, the two most intense have energies in good agreement with the theoretically calculated ones. A non-dispersive feature is observed in the fundamental gap, which we attribute to quasiparticle excitations coupling electrons and phonons, i.e. polarons. The determination of the polaron peak binding energy and bulk band gap allows to fix the value of the theoretical mixing parameter necessary in hybrid Hartree–Fock calculations to reproduce the experimental data. The attribution of the in-gap peak to polarons is strengthened by our discussion in the context of experimental transport data and ab initio theory.