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Rodrigues Lavor, I. |
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Title |
Plasmons and electronic transport in two-dimensional materials |
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Doctoral thesis |
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2021 |
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219 p. |
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Doctoral thesis; Condensed Matter Theory (CMT) |
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This thesis presents, in its first part, an investigation on the trembling motion of wave packets known as zitterbewegung (ZBW), in multilayer graphene, as well as in moiré excitons in twisted MoS2/WSe2 hetero-bilayers. In the last few decades, the dynamics of wave packets has been subject of many theoretical and experimental studies in various types of systems such as semiconductors, superconductors, crystalline solids and cold atoms. The discovery of graphene and moiré excitons in twisted hetero-bilayers, brought two new platforms for the investigation on time evolution of wave packets and possible observation of ZBW. This trembling motion was first theoretically predicted by Schrödinger for wave packets describing particles that obey the Dirac equation. This is exactly the case of low energy electrons in graphene, as well as of moiré exciton in twisted MoS2/WSe2 under an external applied electromagnetic field. ZBW in multilayer graphene was studied both analytically and computationally, respectively, through the Green's function and split-operator methods. In this system, it is found that ZBW depends not only on the wave packet width and initial pseudospin polarization, but also on the number of layers. Furthermore, the analytical and numerical methods proposed here allow to investigate wave packet dynamics in graphene systems with an arbitrary number of layers and arbitrary potential landscapes. For moiré excitons in twisted MoS2/WSe2 hetero-bilayers, it is shown that, analogously to other Dirac-like particles, this system also exhibits ZBW when under a perpendicular applied field. In this case, the ZBW presents long timescales that are compatible with current experimental techniques for exciton dynamics. This promotes the study of the dynamics of moiré excitons in van der Waals heterostructures as an advantageous solidstate platform to probe zitterbewegung, broadly tunable by gating and inter-layer twist angle. In the second part of this thesis, a study into graphene plasmonic in van der Waals heterostructure (vdWhs) are treated in a linear response framework within the Random Phase Approximation and with support of the quantum electrostatic heterostructure (QEH), a DFT-based method. Since Dirac plasmons in graphene are very sensitive to the dielectric properties of the environment, it is possible to explore this property to probe the structure and composition of van der Waals heterostructures (vdWh) placed underneath a single graphene layer. In this way, one can achieve a layer sensitivity of a single layer and differentiate between different TMDs for heterostructures thicker than 2 layers. As a consequence of this, study, the hybridization of Dirac plasmons in graphene with phonons of transition metal dichalcogenides (TMDs), when the materials are combined in so-called van der Waals heterostructures (vdWh) forming surface plasmon-phonon polaritons (SPPPs) are also investigated. It was found that it is possible to realize both strong and ultrastrong coupling regimes by tuning graphene’s Fermi energy and changing TMD layer number. |
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UA @ admin @ c:irua:181012 |
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7011 |
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Maciel de Menezes, R. |
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Skyrmionics and magnonics in chiral ferromagnets : from micromagnetic to atomistic control |
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Doctoral thesis |
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2021 |
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222 p. |
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Doctoral thesis; Condensed Matter Theory (CMT) |
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The precise control of skyrmionics and magnonics in magnetic materials is key to the development of novel spin-based technology and information transport applications. Essentially, the inherent stability of magnetic skyrmions (provided by their topological charge) together with their extremely small size (down to a few nanometers) and the ultralow threshold current necessary to move them in nanostructures are the main advantages of skyrmionics. Not least, magnonics offers lower power consumption compared to electronics and the excitation of high frequency (sub-100~nm wavelength) magnons makes it possible for the creation of nanometric devices for ultrafast information transport. Even though extensive research has been carried out in recent years, the precise manipulation of skyrmions and spin waves (magnons) in nanostructures is not fully mastered and needs to be addressed before making functional skyrmionic and magnonic devices. In this thesis, we reveal multiple alternatives for the manipulation of skyrmions and spin-waves in different materials, such as bulk chiral magnets, heterochiral structures, magnet-supperconductor hybrids and two-dimentional magnetic materials. We make use of a multiscale model to numerically simulate the magnetic states at each considered material, from micromagnetic to atomistic control. We first explore the different nucleation mechanisms, activation energy, and the time evolution of the skyrmion formation in chiral magnetic films, crucial for the realization of skyrmion-based devices. We show that the skyrmion lattice is formed from the conical phase progressively, most probably by the formation of chiral bobbres, followed by the cylindrical growth of individual skyrmions from the film surface. That reflects a rod-like (one-dimensional) nucleation of the skyrmion phase, with an activation barrier of several electronvolts per skyrmion for the case of MnSi (Manganese monosilicide). In addition, we reveal the interesting blinking (creation-annihilation) behavior of skyrmions close to the phase boundary between the conical and skyrmion phases, where we recall that such switching between topologically distinct states has been proposed as a bit operation for information storage. Next, we discuss the motion of ferromagnetic and antiferromagnetic skyrmions in heterochiral magnets. We report the characteristic deflection of ferromagnetic skyrmions when moving across a heterochiral interface, where the extent of such deflection is tuned by the applied spin-polarized current and the magnitude of Dzyaloshinskii-Moriya interaction. Following, we show that the antiferromagnetic skyrmion achieves much higher velocities than its ferromagnetic counterpart, yet experiences far stronger confinement in nanoengineered heterochiral tracks, which reinforces antiferromagnetic skyrmions as a favorable choice for skyrmion-based devices. After that, we study the interesting coupling of magnetic skyrmions and superconducting vortices in magnet-superconductor heterostructures. We perform numerical simulations, based on experimental observations, to demonstrate that the stray field of magnetic skyrmions can nucleate antivortices in an adjacent superconducting film, giving rise to a hybrid topological object, the skyrmion-vortex pair, which harbor promising features for skyrmionics and quantum computing applications. We then explore the manipulation of a single skyrmion-vortex pair when currents are applied into both superconducting and magnetic parts of the heterostructure, which is of importance for the facilitated skyrmion guidance in racetrack applications. Afterwards, we make use of the high tunability of magnetic parameters in two-dimensional magnetic materials to reveal the rich phase diagram of exotic magnetic configurations in magnetic monolayers with suppressed nearest-neighbour exchange, where we show that several unique cycloidal, checkerboard, row-wise and spin-ice states are stabilized by the competition between the second-nearest-neighbor exchange, Dzyaloshinskii-Moriya, and dipolar interactions. Additionally, we show the coexistence of ferromagnetic and antiferromagnetic spin-cycloids, as well as novel types of skyrmions and chiral domain walls. Finally, in the last part of the thesis, we present the spin wave properties in the two-dimensional magnetic materials CrBr$3$ and CrI$3$. Using spin-dynamics simulations parametrized from first principles, we reveal that the spin wave dispersion in such materials can be tuned in a broad range of frequencies by strain-engineering, and that a designed pattern of strain, as well as structural defects (halide vacancies) can be turned useful in the design of spin-wave guides. Lastly, we discuss the realization of magnonic crystals by moiré-periodic modulation of magnetic parameters in van der Waals heterostructures, where we show that the several nanometer small periodicities in such samples are ideal for the interference of terahertz spin waves. Recalling the wide range of possibilities for manipulating spin waves in such two-dimensional materials, we therefore suggest these systems as a front-runner for prospective terahertz magnonic applications. |
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UA @ admin @ c:irua:184244 |
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7019 |
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Author |
Gonzalez Garcia, A. |
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Tuning the properties of group III-As in the thinnest limit : a theoretical study of single layer and 2D-heterostructures |
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Doctoral thesis |
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2021 |
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xvii, 175 p. |
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Doctoral thesis; Condensed Matter Theory (CMT) |
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In this thesis, a first-principles research to tune the physical properties of group III-V materials in the thinnest limit is carried out. Among the different methods to tune the mechanical, electronic and magnetic properties of these graphene related materials, we use: two-dimensional (2D) multilayers, straintronics, hydrogen functionalization, and transition metal adsorption. The first part of this research is devoted to a complete characterization of the structural, electronic, mechanical and vibrational properties of 2D group III-As monolayers, obtained from density functional theory. Our findings are used to understand the contribution of the |
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UA @ admin @ c:irua:182959 |
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7040 |
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de Paula Miranda, L. |
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Electronic transport in two dimensional systems with defects |
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Doctoral thesis |
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2022 |
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104 p. |
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Doctoral thesis; Condensed Matter Theory (CMT) |
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The pursuit for the next generation of nanodevices made scientists focus the attention to two dimensional materials. Experimental works of two dimensional materials are hardly free of structural defects, which, in turn, modify drastically the physical properties of its defect-free counterpart. In this work the presence of structural defects is study in two different materials. First, the dependence of the Hall, bend and longitudinal resistances to a perpendicular magnetic field and to vacancy defects in a four-terminal phosphorene single layer Hall bar is investigated. A tight-binding model in combination with the Landauer-Büttiker formalism is used to calculate the energy spectrum, the lead-to-lead transmissions, and the Hall and bend resistances of the system. It is shown that the terminals with zigzag edge orientation are responsible for the absence of quantized plateaus in the Hall resistance and peaks in the longitudinal resistance. A negative bend resistance in the ballistic regime is found due to the presence of high- and low- energy transport modes in the armchair and zigzag terminals, respectively. The system density of states, with single vacancy defects, shows that the presence of in-gap states is proportional to the number of vacancies. Quantized plateaus in the Hall resistance are only formed in a sufficiently clean system. The effects of different kinds of vacancies in the regime where the quantized plateaus are destroyed and a diffusive regime appears in the bend resistance are investigated. Next, we explore effects due to point defect clustering on the electronic and transport properties of bilayer graphene nanoribbons, for AA and AB stacking and zigzag and armchair boundaries, by means of the tight-binding approach and scattering matrix formalism. Evidence of vacancy concentration signatures exhibiting a maximum amplitude and an universality regardless of the system size, stacking and boundary types, in the density of states around the zero-energy level are observed. Our results are explained via the coalescence analysis of the strong sizeable vacancy clustering effect in the system and the breaking of inversion symmetry at high vacancy densities, demonstrating a similar density of states for two equivalent degrees of concentration disorder, below and above the maximum value. |
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UA @ admin @ c:irua:191340 |
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7151 |
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Author |
Jiang, J. |
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Ginzburg-Landau dynamical simulations on the nonreciprocal transport properties of two-dimensional superconductors |
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Doctoral thesis |
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2022 |
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XII, 79 p. |
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Doctoral thesis; Condensed Matter Theory (CMT) |
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The nonreciprocal charge transport property which depends on the polarity of the applied current, such as the diode effect and the rectification effect, is of great importance for both theoretical research and engineering application. The nonreciprocal transport property in superconductors generally requires to break both the spatial inversion symmetry and the time-reversal symmetry, and therefore becomes one of the fundamental issues in superconductivity. Of particular interest, the superconducting diode effect, which exhibits one-way superconductivity, can potentially be applied to dissipationless diode devices, as a consequence has received extensive attention in recent years. In this Ph. D thesis, we simulate vortex dynamics with heat dissipation by numerically solving time-dependent Ginzburg-Landau equations and heat transfer equation. The nonreciprocal transport properties of the following three superconducting systems are studied. We study a superconducting film patterned with a conformal pinning array and find a giant rectification effect which is consistent with the experimental observation. In presence of the funneling effect due to the geometry of the conformal pinning array, Joule heating of the accumulating vortices creates hot spots and drives the sample to the normal state. Meanwhile, the density gradient of vortex does not match the gradient of pinning. The two mechanisms together lead to the giant rectification effect. We study the nonreciprocal charge transport property in a pinning-free superconducting nano-ring. We systematically calculate the response of the ratchet signal to various parameters in both D.C. and A.C. currents. By analyzing the vortex potential, we find that the nonreciprocal transport property is caused by the asymmetry potential barriers for vortex entry and exit. We study a superconductor/nanoscale-magnetic-dot hybrid structure. It takes advantage of the external current to control the nucleation of vortex-antivortex pairs, and can produce superconducting diode effect without applied magnetic fields. Our vortex dynamics simulation details the progress of the superconducting-normal phase transition due to motion of vortex pairs and heat dissipation. The nonreciprocal transport properties of the above three systems are all based on the broken symmetry of spatial inversion, which is caused by the anisotropic pinning array, the asymmetric geometry, and the nonuniform distribution of the magnetic field, respectively. The mechanisms we discuss in this thesis do not require special property of the materials and thus can be applied to any kinds of conventional superconductors. The present studies would provide solid theoretical basis for the future design and application of the dissipationless superconducting devices. |
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UA @ admin @ c:irua:188525 |
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7168 |
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Magalhães Cunha, S. |
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Wave-packet dynamics and electronic transport properties in 2D materials |
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Doctoral thesis |
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2022 |
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219 p. |
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Doctoral thesis; Condensed Matter Theory (CMT) |
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This piece of work is twofold. First, the time evolution of wave-packets in 2D systems is analyzed by the Split-Operator technique in three different scenarios: in multilayer phosphorene, the transient oscillations in the time-dependent average of position and momentum were observed due to the zitterbewegung effect, and the wave packet propagates non-uniformly along the space deforming itself into an elliptical shape. These results were corroborated by the Green’s function formalism except for large values of the wave-vector and long times; in 2D semiconductor quantum wires (QWs) with anisotropic effective masses and different angle orientations with respect to the anisotropic axis. We have shown that the greater this angle, the smaller is the energy levels spacing implying in an increase of the accessible electronic states. Additionally, for non-null magnetic field, the quantum Hall edge states are significantly affected by the edge orientation. In the anisotropic case damped oscillations in the average values of velocity in both x and y directions where obtained. Theses oscillations are originated by the QW geometry but also from subwavepackets with different momentum orientations, whereas for isotropic QWs the wavepacket disperses without splitting; in the third scenario the split-operator technique was used to study the Landau levels, the wave packet trajectories and velocities of electrons in graphene at low-energy regime described by a modified Dirac equation where the momentum-operator is written in a generalized form as result of applying the position-dependent translation operator formalism (PDTO). In the second part of this thesis, the electronic and tunneling properties of α − T3 lattices were studied. Electrons in these lattices behave analogous to integer-spin Dirac Fermions. The presence of a third atomic site in the unit cell leads to a flat band in the energy spectrum, providing unique electronic and tunneling properties. The presence of a super-periodic potential and the inclusion of symmetry-breaking terms results in deviations of the atomic equivalence between the atomic sites affecting the Dirac points and the band-gap. Small deviations in the equivalence between the atomic sites and the number of barriers change the transmission properties in these lattices. Additionally, new tunneling regions are possible by adjusting the symmetry between the atomic sites and affect the omnidirectional total transmission called super-Klein tunneling observed in these lattices. We compare those results to the tunneling probabilities through regions where the energy spectrum changes from linear with a middle flat band to a hyperbolic dispersion. |
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UA @ admin @ c:irua:189191 |
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7227 |
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De Beule, C. |
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Confined quantum systems in topological insulator heterostructures |
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2017 |
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141 p. |
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Doctoral thesis; Condensed Matter Theory (CMT) |
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UA @ admin @ c:irua:147217 |
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7725 |
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Lou, W.-K. |
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The electrical properties of low low dimensional topological insulators |
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2012 |
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186 p. |
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UA @ admin @ c:irua:158894 |
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7858 |
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Vargas Paredes, A.A. |
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Emergent phenomena in superconductors in presence of intraband and cross-band pairing |
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Doctoral thesis |
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2020 |
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142 p. |
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Doctoral thesis; Condensed Matter Theory (CMT) |
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In this thesis we investigate the emergence of new phenomena in multigap superconductors and multicomponent Ginzburg-Landau theories in the presence of intraband and cross-band pairing. The first part contains a review of emergent phenomena in superconductors with only intraband pairing, in particular the mechanism behind gap resonances which are accompanied by Higgs and Leggett modes. Then we study the gap resonances induced by two-dimensional quantum confinement and describe its spatial profile using the Bogoliubov-de Gennes equations. In the second part we describe the conditions where the cross-band pair formation is feasible. Using the formalism of Green functions we obtain the equations governing the interplay between intraband and cross-band pairing. Also, we derived the Ginzburg-Landau equations considering both intraband and cross-band pairing. Finally, we describe the crossover between the intraband-dominated and crossband-dominated regimes. These two are delimited by a tendency towards a gapless state. When a magnetic field is applied close to the gapless state, we found new arrangements of vortices like square lattices, stripes, labyrinths or of vortex clusters. The experimental signatures and consequences of crosspairing are discussed for MgB2 and Ba0.6K0.4Fe2As2. |
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UA @ admin @ c:irua:165865 |
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7899 |
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Stosic, D. |
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High-performance Ginzburg-Landau simulations of superconductivity |
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Doctoral thesis |
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2018 |
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166 p. |
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Doctoral thesis; Condensed Matter Theory (CMT) |
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Superconductivity is one of the most important discoveries of the last century. With many applications in physics, engineering, and technology, superconductors are crucial to our way of living. Several material and engineering issues however prevent their widespread usage in everyday life. Comprehensive studies are being directed at these materials and their properties to come up with new technologies that will address these challenges and enhance their superconductive capabilities. In this context, numerical modeling plays an important role in the search of new solutions to existing material and engineering issues. The time-dependent Ginzburg-Landau (TDGL) theory is a powerful predictive tool for modeling the macroscopic behavior of superconductors. However most of the numerical algorithms developed so far are incapable of describing many basic properties of real superconducting devices, and are too slow on current hardware for large-scale numerical simulations necessary for their accurate description. Therefore, the purpose of this thesis is to develop high-performing numerical solutions that can correctly describe material features to be used as modeling tools of laboratory experiments. Some important innovations introduced in this work include the numerical modeling of nonrectangular geometrical shapes with complex electrical and insulating components, the inclusion of dynamic heating of the material, and the description of different types of material inhomogeneities. These encompass the principal features necessary for a complete description of the superconductive physics in real material samples. In this thesis a numerical solution is developed for modeling superconducting thin films and used to study the superconductive properties of three experimental configurations: the dynamics of vortex matter in a Corbino disk, the motion of ultrafast vortices in an hourglass-shaped microbridge, and the photon detection process in a meander-patterned nanowire. Moreover, a numerical solution is developed for modeling three-dimensional superconductors which are studied here for the first time in the type-I superconducting regime. These numerical algorithms are optimized to exploit the computational horsepower of graphics processing units (GPUs) and multicore central-processing unit (CPU) clusters such that they can achieve high-performance and be used to model large-scale problems previously impossible on conventional machines. Several computational tools are also designed to assist with the modeling of superconducting devices. These include a numerical library of the TDGL equations, a novel mechanism for the generation of complex geometries, a closed-form solver to conduct numerical simulations, and a graphics user interface (GUI) to visualize the dynamic behavior of superconductors. The contributions in this thesis ultimately push the boundaries on what is possible in state-of-the-art numerical modeling of superconductivity. |
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UA @ admin @ c:irua:181141 |
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8034 |
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Stosic, D. |
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Title |
Numerical simulations of magnetic skyrmions in atomically-thin ferromagnetic films |
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Doctoral thesis |
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Year |
2018 |
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153 p. |
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Doctoral thesis; Condensed Matter Theory (CMT) |
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Moore’s Law has driven the electronics industry for the past half century. However, the doubling of transistors about every two years is beginning to break down, owing to fundamental limits that arise as they approach the atomic length. As a result, the search for new pathways for electronics has become crucial. Among potential candidates, the discovery of magnetic textures known as skyrmions has attracted considerable interest and attention in spintronic technology, which relies on both the electron charge and its spin. The unusual topological and particle-like behavior launched skyrmions into the spotlight of scientific research. Topological protected stability, nanoscale size, and low driving currents needed to move them make skyrmions promising candidates for future consumer nanoelectronics. Recent advances in the field have provided all of the basic functions needed for carrying and processing information. In this thesis, we procure to advance the current understanding of skyrmion physics, and explore their potential to replace conventional electronics technology. First, the fundamental properties and lifetimes of racetrack skyrmions at room temperature are investigated. We discover that skyrmions can easily collapse at the boundary in laterally finite systems, and propose ways to improve their stability for constrained geometries. Then, pinning of single skyrmions on atomic defects of distinct origins are studied. We reveal that the preferred pinning positions depend on the skyrmion size and type of defect being considered, and discuss applications where control of skyrmions by defects is of particular interest. Next, we explore other magnetic configurations that can compete with skyrmions when considering new materials, and describe a previously unseen mechanism for collapse of skyrmions into cycloidal spin backgrounds. Finally, switching and interactions between skyrmions with distinct topologies are reported. We find that skyrmions transition to higher or lower topologies by absorbing a unit spin texture. The interactions between skyrmions of different topological charges can be attractive or repulsive, leading to the formation of arranged clusters. We conclude with a numerical library for simulating magnetic skyrmions in various scenarios. |
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UA @ admin @ c:irua:181142 |
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8322 |
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Xiao, Y. |
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Title |
Theoretical study of the optoelectronic properties of new type 2DEG materials : multilayer graphene and monolayer MoS2 |
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Doctoral thesis |
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2017 |
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144 p. |
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Doctoral thesis; Condensed Matter Theory (CMT) |
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no |
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UA @ admin @ c:irua:144948 |
Serial |
8661 |
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Author |
Taghizadeh Sisakht, E. |
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Title |
Tight-binding investigation of the electronic properties of phosphorene and phosphorene nanoribbons |
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Doctoral thesis |
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Year |
2019 |
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150 p. |
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Doctoral thesis; Condensed Matter Theory (CMT) |
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abstract not available |
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UA @ admin @ c:irua:166195 |
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8670 |
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Author |
Nakhaee, M. |
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Title |
Tight-binding model for two-dimensional materials |
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Doctoral thesis |
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2020 |
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139 p. |
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Doctoral thesis; Condensed Matter Theory (CMT) |
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abstract not available |
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Most recent IF: NA |
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UA @ admin @ c:irua:166134 |
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8671 |
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Vizarim, N.P. |
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Title |
Dynamic behavior of Skyrmions under the influence of periodic pinning in chiral magnetic infinite thin films |
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Doctoral thesis |
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2023 |
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212 p. |
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Doctoral thesis; Condensed Matter Theory (CMT) |
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The miniaturization of transistors for application in new processors and logic devices poses a significant challenge in the field of materials. Spintronics, which relies on controlled movement of magnetic nanostructures, offers a promising solution. Among the candidates, magnetic skyrmions are considered one of the most promising. These chiral spin structures, characterized by topological protection and enhanced stability compared to vortices or magnetic bubbles, have been extensively studied. To advance in the control of skyrmion motion, essential for practical applications, we investigated their dynamic behavior in a two-dimensional chiral magnet at zero temperature. Our study focused on the influence of periodic arrays of pinning centers. The simulations considered skyrmions as point-like particles considering the following interactions: skyrmion-skyrmion interactions, interactions with pinning center arrays, a current of polarized spins, and the Magnus force. We conducted calculations for scenarios involving a single skyrmion as well as different skyrmion density values in the material. The aim was to explore possibilities for controlled skyrmion motion, investigate different dynamic regimes, and examine collective effects. The results demonstrate that by adjusting the size, strength, and density of the pinning centers, we can effectively control the motion of individual skyrmions and manage the flow of multiple skyrmions. Furthermore, we discovered that periodic arrays of pinning centers can facilitate topological selection when different species of skyrmions with distinct Magnus components are present. Employing alternating currents, we observed the significant role of the ratchet effect in the skyrmion dynamics. By fine-tuning the amplitudes of the alternating currents, we achieved direct and controlled motion of skyrmions in specific directions. These findings hold potential for advancing our understanding of skyrmion dynamics and can inspire future technological applications involving these quasi-particles. Overall, we anticipate that our results will be valuable to the scientific community, contributing to a deeper comprehension of skyrmion dynamics and paving the way for future technological applications. |
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Most recent IF: NA |
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UA @ admin @ c:irua:198101 |
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8852 |
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Author |
Hassani, H. |
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Title |
First-principles study of polarons in WO₃ |
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Doctoral thesis |
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2023 |
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181 p. |
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Doctoral thesis; Condensed Matter Theory (CMT) |
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Polarons are quasiparticles emerging in materials from the interaction of extra charge carriers with the surrounding atomic lattice. They appear in a wide va- riety of compounds and can have a profound impact on their properties, making the concept of a polaron a central and ubiquitous topic in material science. Al- though the concept is known for about 75 years, the origin of polarons is not yet fully elucidated. This thesis focuses on WO 3 as a well-known prototypical system for studying polarons, which inherent polaronic nature is linked to its remark- able electrical and chromic properties. The primary objective of this research is to provide a comprehensive atomistic description and understanding of polaron formation in WO 3 using first-principles density functional theory (DFT) calcula- tions. Additionally, the investigation explores the interactions between polarons and the possibility of bipolaron formation. Following a systematic strategy, we first extensively analyze the dielectric and lattice dynamical properties of WO 3 in both the room-temperature P 2 1 /n and ground-state P 2 1 /c phases. Our specific focus is on characterizing the zone-center phonons, which serve as the founda- tion for identifying the phonon modes involved in the polaron formation and charge localization process. Subsequently, we examine the impact of structural distortions on the electronic structure of WO 3 to elucidate the interplay between structural distortions and electronic properties, thereby laying the groundwork for understanding electron-phonon couplings. By incorporating these critical fac- tors, we address our primary research goals. The most common explanation for the polaron formation is associated with the electrostatic screening of the extra charge by the polarizable lattice. Here, we show that, even in ionic crystals, this is not necessarily the case. We demonstrate that polarons in this compound arise primarily from non-polar atomic distortions. We then unveil that this unexpected behavior originates from the undoing of distortive atomic motions, which lowers the bandgap. As such, we coin the name of anti-distortive polaron and validate its appearance through a simple quantum-dot model, in which charge localization is the result of balancing structural, electronic, and confinement energy costs. Then, we also study the polaron-polaron interaction and present the formation of the antiferromagnetic W 4+ bipolaronic state with relatively large formation energy. Our analysis of the W 4+ bipolaronic distortions on the global structure reveals the same behavior as in experiments where the highly distorted monoclinic phase transforms into a tetragonal phase as a function of doping. Additionally, leveraging our previous findings on asymmetric polaronic distortion and examin- ing different merging orientations, we stabilize the antiferromagnetic W 5+ -W 5+ bipolaronic state with an energy lower than the W 4+ state. This thesis clari- fies the formation of unusual medium-size 2D polarons and bipolarons in WO3,which might be relevant to the whole family of ABO 3 perovskites, to which WO 3 is closely related. The simplicity of the concept provides also obvious guidelines for tracking similar behavior in other families of compounds. |
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Most recent IF: NA |
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UA @ admin @ c:irua:198169 |
Serial |
8868 |
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Author |
Hasnat Rubel, A. |
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Title |
Theoretical characterization and optimization of nano-engineered superconducting scanning probe tip |
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Doctoral thesis |
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2023 |
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viii, 145 p. |
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Doctoral thesis; Engineering sciences. Technology; Condensed Matter Theory (CMT) |
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Using state-of-the-art simulation methods, we optimized the performance of nanoscale superconducting scanning probe tips for advanced spatial imaging of magnetic fields. The systematic studies of the tips’ static properties as a function of the tilted magnetic field, geometric parameters, and material parameters were carried out. The sensitivity of different superconducting quantum interference devices (SQUIDs) to the magnetic field emanating from the magnetic nanoparticle, where the location of a magnetic nanoparticle is considered below the primary loop's center, was examined as a function of the primary and secondary loop dimensions. The main objective of the research was to characterize and optimize the performance of a nano-sized SQUID-on-tip (SOT) device. Optimal SOT sensitivity was sought, for different loop sizes, arm linewidth, and lead dimensions. Moreover, we revealed that a constriction in the loop arms of the SOT can substantially improve the sensitivity of the device. Finally, the properties of the theta-SOT device were examined in the presence of in-plane and out-of-plane magnetic field components, enabling nanoscale imaging of 3D distributions of the magnetic field. Altogether, the obtained results deliver an engineering solution for the optimum performance of the SOT device in desired conditions. |
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Most recent IF: NA |
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Call Number |
UA @ admin @ c:irua:199494 |
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8942 |
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de Backer, J.W.; Vos, W.G.; Germonpré, P.; Salgado, R.; Parizel, P.M.; de Backer, W. |
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Clinical applications of image-based airway computational fluid dynamics: assessment of inhalation medication and endobronchial devices |
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A3 Journal article |
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2009 |
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Proceedings of the Society of Photo-optical Instrumentation Engineers |
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7262 |
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72621p,1-72621p,9 |
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A3 Journal article; Condensed Matter Theory (CMT); Antwerp Surgical Training, Anatomy and Research Centre (ASTARC); Laboratory Experimental Medicine and Pediatrics (LEMP) |
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Computational fluid dynamics (CFD) is a technique that is used increasingly in the biomedical field. Solving the flow equations numerically provides a convenient way to assess the efficiency of therapies and devices, ranging from cardiovascular stents and heart valves to hemodialysis workflows. Also in the respiratory field CFD has gained increasing interest, especially through the combination of three dimensional image reconstruction which results in highend patient-specific models. This paper provides an overview of clinical applications of CFD through image based modeling, resulting from recent studies performed in our center. We focused on two applications: assessment of the efficiency of inhalation medication and analysis of endobronchial valve placement. In the first application we assessed the mode of action of a novel bronchodilator in 10 treated patients and 4 controls. We assessed the local volume increase and resistance change based on the combination of imaging and CFD. We found a good correlation between the changes in volume and resistance coming from the CFD results and the clinical tests. In the second application we assessed the placement and effect of one way endobronchial valves on respiratory function in 6 patients. We found a strong patientspecific result of the therapy where in some patients the therapy resulted in complete atelectasis of the target lobe while in others the lobe remained inflated. We concluded from these applications that CFD can provide a better insight into clinically relevant therapies. |
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2009-02-27 |
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UA @ lucian @ c:irua:79497 |
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374 |
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Kálna, K.; Mo×ko, M.; Peeters, F.M. |
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Electron-electron scattering induced capture in GaAs quantum wells |
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1995 |
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Lithuanian journal of physics |
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35 |
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435-439 |
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A3 Journal article; Condensed Matter Theory (CMT) |
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0000-00-00 |
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UA @ lucian @ c:irua:12201 |
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927 |
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Vansant, P.; Smondyrev, M.A.; Peeters, F.M.; Devreese, J.T. |
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Excited states of the one-dimensional bipolaron in the strong coupling limit |
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A3 Journal article |
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1994 |
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Bulletin of the American Physical Society |
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39 |
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889 |
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A3 Journal article; Condensed Matter Theory (CMT); Theory of quantum systems and complex systems |
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Lancaster, Pa |
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0000-00-00 |
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0003-0503 |
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UA @ lucian @ c:irua:20365 |
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1109 |
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Xu, W.; Peeters, F.M.; Devreese, J.T. |
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The hot electron distribution of two-dimensional electrons in a polar semiconductor at zero temperature |
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1991 |
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Journal of physics: C: condensed matter |
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3 |
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1783-1791 |
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A3 Journal article; Condensed Matter Theory (CMT); Theory of quantum systems and complex systems |
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A1991FE35700009 |
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0000-00-00 |
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1 |
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Notes |
|
Approved |
no |
|
| |
Call Number |
UA @ lucian @ c:irua:948 |
Serial |
1490 |
|
| Permanent link to this record |
| |
|
| |
|
Author |
Helm, M.; Peeters, F.M.; DeRosa, F.; Colas, E.; Harbison, J.P.; Florez, L.T. |
|
| |
Title |
Infrared spectroscopy of subbands, minibands, and donors in GaAs/AlGaAs superlatices |
Type |
A3 Journal article |
| |
Year |
1992 |
Publication |
Surface science |
Abbreviated Journal |
|
|
| |
Volume |
263 |
Issue |
|
Pages |
518-526 |
|
| |
Keywords |
A3 Journal article; Condensed Matter Theory (CMT) |
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| |
Abstract |
|
|
| |
Address |
|
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| |
Corporate Author |
|
Thesis |
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| |
Publisher |
|
Place of Publication |
|
Editor |
|
|
| |
Language |
|
Wos |
A1992HF18600104 |
Publication Date |
0000-00-00 |
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| |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
|
| |
Series Volume |
|
Series Issue |
|
Edition |
|
|
| |
ISSN |
|
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
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| |
Impact Factor |
|
Times cited |
5 |
Open Access |
|
|
| |
Notes |
|
Approved |
CHEMISTRY, PHYSICAL 54/144 Q2 # PHYSICS, ATOMIC, MOLECULAR & CHEMICAL 9/35 Q2 # |
|
| |
Call Number |
UA @ lucian @ c:irua:3028 |
Serial |
1664 |
|
| Permanent link to this record |
| |
|
| |
|
Author |
Smondyrev, M.A.; Vansant, P.; Peeters, F.M.; Devreese, J.T. |
|
| |
Title |
Nonlinear Schrödinger equation on a ring |
Type |
A3 Journal article |
| |
Year |
1994 |
Publication |
JINR communications |
Abbreviated Journal |
|
|
| |
Volume |
|
Issue |
|
Pages |
|
|
| |
Keywords |
A3 Journal article; Condensed Matter Theory (CMT); Theory of quantum systems and complex systems |
|
| |
Abstract |
|
|
| |
Address |
|
|
| |
Corporate Author |
|
Thesis |
|
|
| |
Publisher |
|
Place of Publication |
|
Editor |
|
|
| |
Language |
|
Wos |
|
Publication Date |
0000-00-00 |
|
| |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
|
| |
Series Volume |
|
Series Issue |
|
Edition |
|
|
| |
ISSN |
|
ISBN |
|
Additional Links |
UA library record |
|
| |
Impact Factor |
|
Times cited |
|
Open Access |
|
|
| |
Notes |
|
Approved |
PHYSICS, APPLIED 47/145 Q2 # |
|
| |
Call Number |
UA @ lucian @ c:irua:9279 |
Serial |
2357 |
|
| Permanent link to this record |
| |
|
| |
|
Author |
van Dyck, D.; Van Aert, S.; Croitoru, M.D. |
|
| |
Title |
Obstacles on the road towards atomic resolution tomography |
Type |
A3 Journal article |
| |
Year |
2005 |
Publication |
Microscoy and microanalysis |
Abbreviated Journal |
|
|
| |
Volume |
11 |
Issue |
S2 |
Pages |
238-239 |
|
| |
Keywords |
A3 Journal article; Electron microscopy for materials research (EMAT); Condensed Matter Theory (CMT); Vision lab |
|
| |
Abstract |
|
|
| |
Address |
|
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| |
Corporate Author |
|
Thesis |
|
|
| |
Publisher |
|
Place of Publication |
|
Editor |
|
|
| |
Language |
|
Wos |
|
Publication Date |
0000-00-00 |
|
| |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
|
| |
Series Volume |
|
Series Issue |
|
Edition |
|
|
| |
ISSN |
|
ISBN |
|
Additional Links |
UA library record |
|
| |
Impact Factor |
|
Times cited |
|
Open Access |
|
|
| |
Notes |
|
Approved |
Most recent IF: NA |
|
| |
Call Number |
UA @ lucian @ c:irua:57129 |
Serial |
2426 |
|
| Permanent link to this record |
| |
|
| |
|
Author |
Michel, K.H.; Copley, J.R.D. |
|
| |
Title |
Orientational mode coupling, diffuse scattering, and the order-disorder phase transition in solid C60 |
Type |
A3 Journal article |
| |
Year |
1997 |
Publication |
Zeitschrift für Physik: B: condensed matter and quanta |
Abbreviated Journal |
|
|
| |
Volume |
103 |
Issue |
|
Pages |
369-376 |
|
| |
Keywords |
A3 Journal article; Condensed Matter Theory (CMT) |
|
| |
Abstract |
|
|
| |
Address |
|
|
| |
Corporate Author |
|
Thesis |
|
|
| |
Publisher |
|
Place of Publication |
Berlin |
Editor |
|
|
| |
Language |
|
Wos |
A1997XL52100005 |
Publication Date |
0000-00-00 |
|
| |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
|
| |
Series Volume |
|
Series Issue |
|
Edition |
|
|
| |
ISSN |
0340-224x |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
|
| |
Impact Factor |
|
Times cited |
21 |
Open Access |
|
|
| |
Notes |
|
Approved |
Most recent IF: NA |
|
| |
Call Number |
UA @ lucian @ c:irua:21181 |
Serial |
2517 |
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| Permanent link to this record |
| |
|
| |
|
Author |
Nikolaev, A.V.; Prassides, K.; Michel, K.H. |
|
| |
Title |
Phase transitions in AC60 (A=Rb, Cs) fullerides |
Type |
A3 Journal article |
| |
Year |
1997 |
Publication |
Recent advances in the chemistry and physics of fullerenes and related materials |
Abbreviated Journal |
|
|
| |
Volume |
5 |
Issue |
|
Pages |
450-460 |
|
| |
Keywords |
A3 Journal article; Condensed Matter Theory (CMT) |
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| |
Abstract |
|
|
| |
Address |
|
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| |
Corporate Author |
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Thesis |
|
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| |
Publisher |
|
Place of Publication |
|
Editor |
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|
| |
Language |
|
Wos |
|
Publication Date |
0000-00-00 |
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| |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
|
| |
Series Volume |
|
Series Issue |
|
Edition |
|
|
| |
ISSN |
|
ISBN |
|
Additional Links |
UA library record |
|
| |
Impact Factor |
|
Times cited |
|
Open Access |
|
|
| |
Notes |
|
Approved |
Most recent IF: NA |
|
| |
Call Number |
UA @ lucian @ c:irua:21182 |
Serial |
2596 |
|
| Permanent link to this record |
| |
|
| |
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Author |
Shi, J.M.; Peeters, F.M.; Devreese, J.T. |
|
| |
Title |
Shallow-donor states in strongly-coupled super-lattices |
Type |
A3 Journal article |
| |
Year |
1994 |
Publication |
Bulletin of the American Physical Society |
Abbreviated Journal |
|
|
| |
Volume |
39 |
Issue |
|
Pages |
488 |
|
| |
Keywords |
A3 Journal article; Condensed Matter Theory (CMT); Theory of quantum systems and complex systems |
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| |
Abstract |
|
|
| |
Address |
|
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| |
Corporate Author |
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Thesis |
|
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| |
Publisher |
|
Place of Publication |
Lancaster, Pa |
Editor |
|
|
| |
Language |
|
Wos |
|
Publication Date |
0000-00-00 |
|
| |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
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|
| |
Series Volume |
|
Series Issue |
|
Edition |
|
|
| |
ISSN |
0003-0503 |
ISBN |
|
Additional Links |
UA library record |
|
| |
Impact Factor |
|
Times cited |
|
Open Access |
|
|
| |
Notes |
|
Approved |
MATERIALS SCIENCE, MULTIDISCIPLINARY 96/271 Q2 # |
|
| |
Call Number |
UA @ lucian @ c:irua:20363 |
Serial |
2988 |
|
| Permanent link to this record |
| |
|
| |
|
Author |
Marmorkos, I.K.; Matulis, A.; Peeters, F.M. |
|
| |
Title |
Stability of the superconducting vortex structure around a magnetic dot |
Type |
A3 Journal article |
| |
Year |
1995 |
Publication |
Physics of low-dimensional structures |
Abbreviated Journal |
|
|
| |
Volume |
10/11 |
Issue |
|
Pages |
77-86 |
|
| |
Keywords |
A3 Journal article; Condensed Matter Theory (CMT) |
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| |
Abstract |
|
|
| |
Address |
|
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| |
Corporate Author |
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Thesis |
|
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| |
Publisher |
|
Place of Publication |
|
Editor |
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| |
Language |
|
Wos |
|
Publication Date |
0000-00-00 |
|
| |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
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|
| |
Series Volume |
|
Series Issue |
|
Edition |
|
|
| |
ISSN |
|
ISBN |
|
Additional Links |
UA library record |
|
| |
Impact Factor |
|
Times cited |
|
Open Access |
|
|
| |
Notes |
|
Approved |
PHYSICS, APPLIED 28/145 Q1 # |
|
| |
Call Number |
UA @ lucian @ c:irua:13036 |
Serial |
3133 |
|
| Permanent link to this record |
| |
|
| |
|
Author |
Bals, S.; Kisielowski, C.; Croitoru, M.; Van Tendeloo, G. |
|
| |
Title |
Tomography using annular dark field imaging in TEM |
Type |
A3 Journal article |
| |
Year |
2005 |
Publication |
Microscopy and microanalysis |
Abbreviated Journal |
|
|
| |
Volume |
11 |
Issue |
S |
Pages |
2118-2119 |
|
| |
Keywords |
A3 Journal article; Condensed Matter Theory (CMT); Electron microscopy for materials research (EMAT) |
|
| |
Abstract |
|
|
| |
Address |
|
|
| |
Corporate Author |
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Thesis |
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| |
Publisher |
|
Place of Publication |
|
Editor |
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| |
Language |
|
Wos |
|
Publication Date |
0000-00-00 |
|
| |
Series Editor |
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Series Title |
|
Abbreviated Series Title |
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|
| |
Series Volume |
|
Series Issue |
|
Edition |
|
|
| |
ISSN |
|
ISBN |
|
Additional Links |
UA library record |
|
| |
Impact Factor |
|
Times cited |
|
Open Access |
|
|
| |
Notes |
|
Approved |
Most recent IF: NA |
|
| |
Call Number |
UA @ lucian @ c:irua:54880 |
Serial |
3672 |
|
| Permanent link to this record |
| |
|
| |
|
Author |
Sorée, B.; Magnus, W.; Szepieniec, M.; Vandenbreghe, W.; Verhulst, A.; Pourtois, G.; Groeseneken, G.; de Gendt, S.; Heyns, M. |
|
| |
Title |
Novel device concepts for nanotechnology : the nanowire pinch-off FET and graphene tunnelFET |
Type |
A2 Journal article |
| |
Year |
2010 |
Publication |
ECS transactions |
Abbreviated Journal |
|
|
| |
Volume |
28 |
Issue |
|
Pages |
15-26 |
|
| |
Keywords |
A2 Journal article; Condensed Matter Theory (CMT); Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
|
| |
Abstract |
We explain the basic operation of a nanowire pinch-off FET and graphene nanoribbon tunnelFET. For the nanowire pinch-off FET we construct an analytical model to obtain the threshold voltage as a function of radius and doping density. We use the gradual channel approximation to calculate the current-voltage characteristics of this device and we show that the nanowire pinch-off FET has a subthreshold slope of 60 mV/dec and good ION and ION/IOFF ratios. For the graphene nanoribbon tunnelFET we show that an improved analytical model yields more realistic results for the transmission probability and hence the tunneling current. The first simulation results for the graphene nanoribbon tunnelFET show promising subthreshold slopes. |
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| |
Address |
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| |
Corporate Author |
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Thesis |
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| |
Publisher |
|
Place of Publication |
|
Editor |
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| |
Language |
|
Wos |
|
Publication Date |
0000-00-00 |
|
| |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
|
| |
Series Volume |
|
Series Issue |
|
Edition |
|
|
| |
ISSN |
1938-5862 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
|
| |
Impact Factor |
|
Times cited |
|
Open Access |
|
|
| |
Notes |
|
Approved |
Most recent IF: NA |
|
| |
Call Number |
UA @ lucian @ c:irua:89510 |
Serial |
2375 |
|
| Permanent link to this record |
