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- ItemTopology- and Geometry-Controlled Functionalization of Nanostructured Metamaterials(Basel : MDPI, 2023) Fomin, Vladimir M.; Marquardt, Oliver[no abstract available]
- ItemTopology- and Geometry-Controlled Functionalization of Nanostructured Metamaterials(Basel : MDPI, 2023) Fomin, Vladimir M.; Marquardt, Oliver[No abstract available]
- ItemMultiband k $cdot$ p model and fitting scheme for ab initio-based electronic structure parameters for wurtzite GaAs(Berlin : Weierstraß-Institut für Angewandte Analysis und Stochastik, 2020) Marquardt, Oliver; Caro, Miguel A.; Koprucki, Thomas; Mathé, Peter; Willatzen, MortenWe develop a 16-band k · p model for the description of wurtzite GaAs, together with a novel scheme to determine electronic structure parameters for multiband k · p models. Our approach uses low-discrepancy sequences to fit k · p band structures beyond the eight-band scheme to most recent ab initio data, obtained within the framework for hybrid-functional density functional theory with a screened-exchange hybrid functional. We report structural parameters, elastic constants, band structures along high-symmetry lines, and deformation potentials at the Γ point. Based on this, we compute the bulk electronic properties (Γ point energies, effective masses, Luttinger-like parameters, and optical matrix parameters) for a ten-band and a sixteen-band k · p model for wurtzite GaAs. Our fitting scheme can assign priorities to both selected bands and k points that are of particular interest for specific applications. Finally, ellipticity conditions can be taken into account within our fitting scheme in order to make the resulting parameter sets robust against spurious solutions.
- ItemSimulating the electronic properties of semiconductor nanostructures using multiband $kcdot p$ models(Berlin : Weierstraß-Institut für Angewandte Analysis und Stochastik, 2020) Marquardt, OliverThe eight-band $kcdot p$ formalism been successfully applied to compute the electronic properties of a wide range of semiconductor nanostructures in the past and can be considered the backbone of modern semiconductor heterostructure modelling. However, emerging novel material systems and heterostructure fabrication techniques raise questions that cannot be answered using this well-established formalism, due to its intrinsic limitations. The present article reviews recent studies on the calculation of electronic properties of semiconductor nanostructures using a generalized multiband $kcdot p$ approach that allows both the application of the eight-band model as well as more sophisticated approaches for novel material systems and heterostructures.
- ItemMicro- and nano-scale engineering and structures shape architecture at nucleation from In-As-Sb-P composition liquid phase on an InAs(100) surface(Berlin : Weierstraß-Institut für Angewandte Analysis und Stochastik, 2020) Gambaryan, Karen M.; Marquardt, Oliver; Boeck, Torsten; Trampert, AchimIn this review paper we present results of the growth, characterization and electronic properties of In(As,Sb,P) composition strain-induced micro- and nanostructures. Nucleation is performed from In-As-Sb-P quaternary composition liquid phase in Stranski--Krastanow growth mode using steady-state liquid phase epitaxy. Growth features and the shape transformation of pyramidal islands, lens-shape and ellipsoidal type-II quantum dots (QDs), quantum rings and QD-molecules are under consideration. It is shown that the application of a quaternary In(As,Sb,P) composition wetting layer allows not only more flexible control of lattice-mismatch between the wetting layer and an InAs(100) substrate, but also opens up new possibilities for nanoscale engineering and nanoarchitecture of several types of nanostructures. HR-SEM, AFM, TEM and STM are used for nanostructure characterization. Optoelectronic properties of the grown structures are investigated by FTIR and photoresponse spectra measurements. Using an eight-band $mathbfkcdotmathbfp$ model taking strain and built-in electrostatic potentials into account, the electronic properties of a wide range of InAs$_1-x-y$Sb$_x$P$_y$ QDs and QD-molecules are computed. Two types of QDs mid-infrared photodetectors are fabricated and investigated. It is shown that the incorporation of QDs allows to improve some output device characteristics, in particularly sensitivity, and to broaden the spectral range.
- ItemNucleation chronology and electronic properties of In(As,Sb,P) graded composition quantum dots grown on InAs(100) substrate(Berlin : Weierstraß-Institut für Angewandte Analysis und Stochastik, 2019) Gambaryan, Karen M.; Boeck, Torsten; Trampert, Achim; Marquardt, OliverWe provide a detailed study of nucleation process, characterization, electronic and optical properties of graded composition quantum dots (GCQDs) grown from In-As-Sb-P composition liquid phase on an InAs(100) substrate in the Stranski-Krastanov growth mode. Our GCQDs exhibit diameters from 10 to 120 nm and heights from 2 to 20 nm with segregation profiles having a maximum Sb content of approximately 20% at the top and a maximum P content of approximately 15% at the bottom of the GCQDs so that hole confinement is expected in the upper parts of the GCQDs. Using an eight-band k · p model taking strain and built-in electrostatic potentials into account, we have computed the hole ground state energies and charge densities for a wide range of InAs1-x-ySbxPy GCQDs as close as possible to the systems observed in experiment. Finally, we have obtained an absorption spectrum for an ensemble of GCQDs by combining data from both experiment and theory. Excellent agreement between measured and simulated absorption spectra indicates that such GCQDs can be grown following a theory-guided design for application in specific devices.