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Adaptive methods for time domain boundary integral equations for acoustic scatteringGläfke, Matthias January 2012 (has links)
This thesis is concerned with the study of transient scattering of acoustic waves by an obstacle in an infinite domain, where the scattered wave is represented in terms of time domain boundary layer potentials. The problem of finding the unknown solution of the scattering problem is thus reduced to the problem of finding the unknown density of the time domain boundary layer operators on the obstacle’s boundary, subject to the boundary data of the known incident wave. Using a Galerkin approach, the unknown density is replaced by a piecewise polynomial approximation, the coefficients of which can be found by solving a linear system. The entries of the system matrix of this linear system involve, for the case of a two dimensional scattering problem, integrals over four dimensional space-time manifolds. An accurate computation of these integrals is crucial for the stability of this method. Using piecewise polynomials of low order, the two temporal integrals can be evaluated analytically, leading to kernel functions for the spatial integrals with complicated domains of piecewise support. These spatial kernel functions are generalised into a class of admissible kernel functions. A quadrature scheme for the approximation of the two dimensional spatial integrals with admissible kernel functions is presented and proven to converge exponentially by using the theory of countably normed spaces. A priori error estimates for the Galerkin approximation scheme are recalled, enhanced and discussed. In particular, the scattered wave’s energy is studied as an alternative error measure. The numerical schemes are presented in such a way that allows the use of non-uniform meshes in space and time, in order to be used with adaptive methods that are based on a posteriori error indicators and which modify the computational domain according to the values of these error indicators. The theoretical analysis of these schemes demands the study of generalised mapping properties of time domain boundary layer potentials and integral operators, analogously to the well known results for elliptic problems. These mapping properties are shown for both two and three space dimensions. Using the generalised mapping properties, three types of a posteriori error estimators are adopted from the literature on elliptic problems and studied within the context of the two dimensional transient problem. Some comments on the three dimensional case are also given. Advantages and disadvantages of each of these a posteriori error estimates are discussed and compared to the a priori error estimates. The thesis concludes with the presentation of two adaptive schemes for the two dimensional scattering problem and some corresponding numerical experiments.
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New approaches to understand conductive and polar domain walls by Raman spectroscopy and low energy electron microscopy / Nouvelles approches pour comprendre les parois de domaines conductrices et les parois de domaines polaires par spectroscopie Raman et microscopie électronique de faible énergieNataf, Guillaume F. 05 October 2016 (has links)
Ce travail de thèse porte sur les propriétés structurales et électroniques des parois de domaines ferroïques ; il a pour objectif une meilleure compréhension des mécanismes de conduction dans les parois de domaines du niobate de lithium d’une part, et de la polarité des parois de domaine dans le titanate de calcium d’autre part. La première partie est consacrée aux interactions entre les défauts et les parois de domaine dans le niobate de lithium. L’observation d’une relaxation diélectrique de faible énergie d’activation et l’analyse de son comportement sous l’effet d’un recuit dans des échantillons avec et sans parois nous conduisent à proposer que les parois de domaines stabilisent des états polaroniques. Nous rapportons aussi l'évolution de modes Raman dans des échantillons congruents de niobate de lithium dopés de manière croissante en magnésium. Nous identifions des décalages en fréquence spécifiques aux parois de domaines. Les parois de domaines apparaissent alors comme des lieux de stabilisation des défauts polaires. Nous utilisons la microscopie électronique miroir (MEM) et la microscopie électronique de faible énergie (LEEM) pour caractériser les domaines et parois de domaines à la surface du niobate de lithium dopé magnésium. Nous démontrons que les réglages de la distance focale peuvent être utilisés pour déterminer la polarisation du domaine. Aux parois de domaines, un champ électrique latéral, provenant de différents états de charge de surface, est mis en évidence. Dans une seconde partie, nous étudions la polarité des parois de domaine dans le titanate de calcium. Nous utilisons la spectroscopie de résonance piézo-électrique pour mettre en évidence l’excitation de résonances élastiques par un signal électrique, ce qui est interprété comme une réponse piézoélectrique des parois de domaines. Une image directe des parois de domaine du titanate de calcium est obtenue par LEEM, et montre une différence de potentiel de surface entre domaines et parois. Ce contraste peut être modifié sous l’effet d’injection d’électrons, par un effet d’écrantage des charges de polarisation aux parois. / We investigate the structural and electronic properties of domain walls to achieve a better understanding of the conduction mechanisms in domain walls of lithium niobate and the polarity of domain walls in calcium titanate. In a first part, we discuss the interaction between defects and domain walls in lithium niobate. A dielectric resonance with a low activation energy is observed, which vanishes under thermal annealing in monodomain samples while it remains stable in periodically poled samples. Therefore we propose that domain walls stabilize polaronic states. We also report the evolution of Raman modes with increasing amount of magnesium in congruent lithium niobate. We identified specific frequency shifts of the modes at the domain walls. The domains walls appear then as spaces where polar defects are stabilized. In a second step, we use mirror electron microscopy (MEM) and low energy electron microscopy (LEEM) to characterize the domains and domain walls at the surface of magnesium-doped lithium niobate. We demonstrate that out of focus settings can be used to determine the domain polarization. At domain walls, a local stray, lateral electric field arising from different surface charge states is observed. In a second part, we investigate the polarity of domain walls in calcium titanate. We use resonant piezoelectric spectroscopy to detect elastic resonances induced by an electric field, which is interpreted as a piezoelectric response of the walls. A direct image of the domain walls in calcium titanate is also obtained by LEEM, showing a clear contrast in surface potential between domains and walls. This contrast is observed to change reversibly upon electron irradiation due to the screening of polarization charges at domain walls.
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Um método de elementos de contorno do domínio do tempo para análise de comportamento no mar de sistemas oceânicos. / A time-domain boundary elements method for the seakeeping analysis of offshore systems.Watai, Rafael de Andrade 03 December 2014 (has links)
Esta tese apresenta o desenvolvimento de um método de elementos de contorno (BEM) no domínio do tempo baseado em fontes de Rankine para analise linear de comportamento no mar de sistemas oceânicos. O método e formulado por dois problemas de valor inicial de contorno definidos para os potenciais de velocidade e aceleração, sendo este ultimo utilizado para calcular de maneira acurada a derivada temporal do potencial de velocidades. Testes de verificação são realizados para a solução dos problemas de difração, radiação e de corpo livre para flutuar. Uma vez verificada, a ferramenta e aplicada em dois problemas multicorpos considerados no estado-da-arte em termos de modelagem hidrodinâmica utilizando BEM. O primeiro trata do problema envolvendo duas embarcações atracadas a contrabordo. Este é um caso no qual os códigos baseados na teoria de escoamento potencial são conhecidos por apresentarem dificuldades na determinação das soluções, tendendo a superestimar as elevações de onda no vão entre as embarcações e a apresentar problemas de convergência numérica associados a efeitos ressonantes de onda. O problema e tratado por meio do método de damping lid e a convergência das series temporais e investigada avaliando diferentes níveis de amortecimento. Os resultados são comparados com dados experimentais. O segundo problema se refere a analise de sistemas multicorpos com grandes deslocamentos relativos. Neste problema, ferramentas no domínio da frequência nao podem ser utilizadas, por considerarem apenas malhas fixas. Deste modo, o presente método e estendido para considerar um gerador de malhas de paineis e um algoritmo de interpolação de ordem alta no laco de tempo do código, possibilitando a mudança de posições relativas entre os corpos durante a simulação. Os resultados são comparados com dados de experimentos executados especificamente para fins de verificação do código, apresentando uma boa concordância. De acordo com o conhecimento do autor, esta e a primeira vez que certas questões relativas a modelagem numérica destes dois problemas multicorpos são relatadas na literatura especializada em hidrodinâmica computacional. / The development of a time domain boundary elements method (BEM) based on Rankine\'s sources for linear seakeeping analysis of offshore systems is here addressed. The method is formulated by means of two Initial Boundary Value Problems defined for the velocity and acceleration potentials, the latter being used to ensure an accurate calculation of the time derivatives of the velocity potential. Verification tests for solving the difraction, radiation and free floating problems are presented. Once verified, the code is applied for two complex multi-body problems considered to be in the state-of-the-art for hydrodynamic modelling using BEM. The first is the seakeeping problem of two ships arranged in side-by-side, a problem in which all potential flow codes are known to have a poor performance, tending to provide unrealistic high wave elevations in the gap between the vessels and to present numerical convergence problems associated to resonant effects. The problem is here addressed by means of a damping lid method and the convergence of the time series with different damping levels is investigated. Results are compared to data measured in an experimental campaign. The second problem refers to the analysis of multi-body systems composed of bodies undergoing large relative displacements. This is a case that cannot be properly analyzed by frequency domain codes, since they only consider fixed meshes. For this application, the present numerical method is extended to consider a panel mesh generator in the time loop of the code, enabling the change of body relative positions during the computations. Furthermore, a higher order interpolation algorithm designed to recover the solutions of a previous time-step was also implemented, enabling the calculations to progress with reasonable accuracy in time. The numerical results are compared to data of experimental tests designed and executed for verification of the code, and presented a very good agreement. To the author\'s knowledge, this is the first time that certain issues concerning the numerical modelling of these two complex multi-body problems are reported in the literature specialized in hydrodynamic computations.
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Buckling Type, Domain Boundaries and Donor Atoms: Atomic Scale Characterization of the Si(111)-2x1 SurfaceLöser, Karolin 31 January 2013 (has links)
No description available.
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Um método de elementos de contorno do domínio do tempo para análise de comportamento no mar de sistemas oceânicos. / A time-domain boundary elements method for the seakeeping analysis of offshore systems.Rafael de Andrade Watai 03 December 2014 (has links)
Esta tese apresenta o desenvolvimento de um método de elementos de contorno (BEM) no domínio do tempo baseado em fontes de Rankine para analise linear de comportamento no mar de sistemas oceânicos. O método e formulado por dois problemas de valor inicial de contorno definidos para os potenciais de velocidade e aceleração, sendo este ultimo utilizado para calcular de maneira acurada a derivada temporal do potencial de velocidades. Testes de verificação são realizados para a solução dos problemas de difração, radiação e de corpo livre para flutuar. Uma vez verificada, a ferramenta e aplicada em dois problemas multicorpos considerados no estado-da-arte em termos de modelagem hidrodinâmica utilizando BEM. O primeiro trata do problema envolvendo duas embarcações atracadas a contrabordo. Este é um caso no qual os códigos baseados na teoria de escoamento potencial são conhecidos por apresentarem dificuldades na determinação das soluções, tendendo a superestimar as elevações de onda no vão entre as embarcações e a apresentar problemas de convergência numérica associados a efeitos ressonantes de onda. O problema e tratado por meio do método de damping lid e a convergência das series temporais e investigada avaliando diferentes níveis de amortecimento. Os resultados são comparados com dados experimentais. O segundo problema se refere a analise de sistemas multicorpos com grandes deslocamentos relativos. Neste problema, ferramentas no domínio da frequência nao podem ser utilizadas, por considerarem apenas malhas fixas. Deste modo, o presente método e estendido para considerar um gerador de malhas de paineis e um algoritmo de interpolação de ordem alta no laco de tempo do código, possibilitando a mudança de posições relativas entre os corpos durante a simulação. Os resultados são comparados com dados de experimentos executados especificamente para fins de verificação do código, apresentando uma boa concordância. De acordo com o conhecimento do autor, esta e a primeira vez que certas questões relativas a modelagem numérica destes dois problemas multicorpos são relatadas na literatura especializada em hidrodinâmica computacional. / The development of a time domain boundary elements method (BEM) based on Rankine\'s sources for linear seakeeping analysis of offshore systems is here addressed. The method is formulated by means of two Initial Boundary Value Problems defined for the velocity and acceleration potentials, the latter being used to ensure an accurate calculation of the time derivatives of the velocity potential. Verification tests for solving the difraction, radiation and free floating problems are presented. Once verified, the code is applied for two complex multi-body problems considered to be in the state-of-the-art for hydrodynamic modelling using BEM. The first is the seakeeping problem of two ships arranged in side-by-side, a problem in which all potential flow codes are known to have a poor performance, tending to provide unrealistic high wave elevations in the gap between the vessels and to present numerical convergence problems associated to resonant effects. The problem is here addressed by means of a damping lid method and the convergence of the time series with different damping levels is investigated. Results are compared to data measured in an experimental campaign. The second problem refers to the analysis of multi-body systems composed of bodies undergoing large relative displacements. This is a case that cannot be properly analyzed by frequency domain codes, since they only consider fixed meshes. For this application, the present numerical method is extended to consider a panel mesh generator in the time loop of the code, enabling the change of body relative positions during the computations. Furthermore, a higher order interpolation algorithm designed to recover the solutions of a previous time-step was also implemented, enabling the calculations to progress with reasonable accuracy in time. The numerical results are compared to data of experimental tests designed and executed for verification of the code, and presented a very good agreement. To the author\'s knowledge, this is the first time that certain issues concerning the numerical modelling of these two complex multi-body problems are reported in the literature specialized in hydrodynamic computations.
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Ultra-thin oxide filmsHu, Xiao January 2016 (has links)
Oxide ultra-thin film surfaces have properties and structures that are significantly different from the terminations of the corresponding bulk crystals. For example, surface structures of epitaxial ultra-thin oxide films are highly influenced by the crystallinity and electronegativity of the metal substrates they grown on. Some enhanced properties of the novel reconstructions are related to catalysis, sensing and microelectronics, which has resulted in an increasing interest in this field. Ultra-thin TiO<sub>x</sub> films were grown on Au(111) substrates in this work. Two well-ordered structures within monolayer coverage - honeycomb (HC) and pinwheel - were generated and investigated. Special attention has been paid to the uniform (2 x 2) Ti<sub>2</sub>O<sub>3</sub> HC phase including its regular structure and imperfections such as domain boundaries (DBs) and point defects. Linear DBs with long-range repeating units have been observed; density functional theory (DFT) modelling has been used to simulate their atomic structures and calculate their formation energies. Rotational DBs/defects show up less frequently, however a six-fold symmetrical 'snowflake' DB loop stands out. Two types of point defects have been discovered and assigned to Ti vacancies and oxygen vacancies/hydroxyl groups. Their diffusion manners and pairing habits have been discussed within an experimental context. The results of growing NbO<sub>x</sub> ultra-thin films on Au(111) are also presented in this thesis. An identical looking (2 x 2) HC structure to the Ti<sub>2</sub>O<sub>3</sub> ultra-thin film has been formed; a stoichiometry of Nb2O3 is suggested. Another interesting reconstruction is a hollow triangle structure. Various sizes have been found, and sides of these equilateral triangles all show a double-line feature aligned along the { 1 ₁⁻ } directions of the Au(111) lattice. Chemical composition characterisations of NbO<sub>x</sub> thin films are still required as is DFT modelling. Experimental techniques used in this thesis include scanning tunnelling microscopy (STM), low energy electron diffraction (LEED), and X-ray photoelectron spectroscopy (XPS). Ultra-thin oxide films were created by physical vapour deposition (PVD) in ultra-high vacuum (UHV) systems.
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The atomic struture of inversion domains and grain boundaries in wurtzite semonconductors : an investigation by atomistic modelling and high resolution transmission electron microscopy / Structure atomique des domaines d’inversion et joints de grains dans les semiconducteurs wurtzite : modélisation atomistique et microscopie électronique en transmission haute résolutionLi, Siqian 04 December 2018 (has links)
Au cours de ce travail, nous avons étudié deux types de défauts interfaciaux: domaines d’inversion (DI) et joints de grains (JG) dans des semiconducteurs de structure wurtzite (nitrures- d’éléments III, ZnO et l’hétérostructure ZnO/GaN) en utilisant le MET haute résolution et la modélisation ab initio. Dans le cas des DI, nos analyses théoriques montrent qu'une configuration tête-à-tête avec une séquence d'empilement à l’interface AaBbAa-AcCaA (H4) est la structure la plus stable dans les composés binaires (nitrures et ZnO wurtzites). De plus, un gaz d’électrons (2DEG) ou de trous (2DHG) à 2 dimensions est formé pour les configurations « tête-à-tête » ou queue-à-queue. A l’interface ZnO/GaN, l'observation de MET très haute résolution a confirmé la configuration H4 avec une interface -Zn-O-Ga-N. Notre modélisation théorique a mis en évidence la formation d’un gas de trous à 2 dimensions à cette hétérointerface. Nous avons aussi réalisé l’étude topologique, théorique et par MET des joints de grains de rotation autour de l’axe [0001] dans ces matériaux. Dans le GaN, nous avons trouvé que les plans du joint sont simplement formés par des dislocations de type a déjà connues pour le matériau en couche mince. Par contre, dans ZnO, la théorie topologique est complétement démontrée, et la dislocation [101 ̅0] est une brique de base dans la constitution des joints de grains avec des cycles d’atomes 6-8-4-. / In this work, we investigated two kinds of interfacial defects: inversion domain boundaries (IDBs) and grain boundaries (GB) in wurtzite semiconductors (III-nitrides, ZnO and ZnO/GaN heterostructure) using high-resolution TEM and first-principle calculations. For IDBs, theoretical calculation indicated that a head-to-head IDB with an interfacial stacking sequence of AaBbAa-AcCaA (H4) is the most stable structure in wurtzite compounds. Moreover, 2-dimensional electron gas (2DEG) and 2-dimensional hole gas (2DHG) build up in head-to-head and tail-to-tail IDBs, respectively. Considering the IDB at the ZnO/GaN heterointerface, TEM observations unveiled the H4 configuration with a -Zn-O-Ga-N interface. Moreover the theoretical investigation also confirmed stability of this interface along with the corresponding formation of a 2DHG. A detailed topological, TEM and theoretical investigation of [0001] tilt Grain Boundaries (GBs) in wurtzite symmetry has also been carried out. In GaN, it is shown that the GBs are only made of separated a edge dislocations with 4, 5/7 and 8 atoms rings. For ZnO, a new structural unit: the [101 ̅0] edge dislocation made of connected 6-8-4-atom rings is reported for the first time, in agreement with an early theoretical report on dislocations and jogs in the wurtzite symmetry.
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Fast, Parallel Techniques for Time-Domain Boundary Integral EquationsKachanovska, Maryna 27 January 2014 (has links) (PDF)
This work addresses the question of the efficient numerical solution of time-domain boundary integral equations with retarded potentials arising in the problems of acoustic and electromagnetic scattering. The convolutional form of the time-domain boundary operators allows to discretize them with the help of Runge-Kutta convolution quadrature. This method combines Laplace-transform and time-stepping approaches and requires the explicit form of the fundamental solution only in the Laplace domain to be known. Recent numerical and analytical studies revealed excellent properties of Runge-Kutta convolution quadrature, e.g. high convergence order, stability, low dissipation and dispersion.
As a model problem, we consider the wave scattering in three dimensions. The convolution quadrature discretization of the indirect formulation for the three-dimensional wave equation leads to the lower triangular Toeplitz system of equations. Each entry of this system is a boundary integral operator with a kernel defined by convolution quadrature. In this work we develop an efficient method of almost linear complexity for the solution of this system based on the existing recursive algorithm. The latter requires the construction of many discretizations of the Helmholtz boundary single layer operator for a wide range of complex wavenumbers. This leads to two main problems:
the need to construct many dense matrices and to evaluate many singular and near-singular integrals.
The first problem is overcome by the use of data-sparse techniques, namely, the high-frequency fast multipole method (HF FMM) and H-matrices. The applicability of both techniques for the discretization of the Helmholtz boundary single-layer operators with complex wavenumbers is analyzed. It is shown that the presence of decay can favorably affect the length of the fast multipole expansions and thus reduce the matrix-vector multiplication times. The performance of H-matrices and the HF FMM is compared for a range of complex wavenumbers, and the strategy to choose between two techniques is suggested.
The second problem, namely, the assembly of many singular and nearly-singular integrals, is solved by the use of the Huygens principle. In this work we prove that kernels of the boundary integral operators $w_n^h(d)$ ($h$ is the time step and $t_n=nh$ is the time) exhibit exponential decay outside of the neighborhood of $d=nh$ (this is the consequence of the Huygens principle). The size of the support of these kernels for fixed $h$ increases with $n$ as $n^a,a<1$, where $a$ depends on the order of the Runge-Kutta method and is (typically) smaller for Runge-Kutta methods of higher order. Numerical experiments demonstrate that theoretically predicted values of $a$ are quite close to optimal.
In the work it is shown how this property can be used in the recursive algorithm to construct only a few matrices with the near-field, while for the rest of the matrices the far-field only is assembled. The resulting method allows to solve the three-dimensional wave scattering problem with asymptotically almost linear complexity. The efficiency of the approach is confirmed by extensive numerical experiments.
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Fast, Parallel Techniques for Time-Domain Boundary Integral EquationsKachanovska, Maryna 15 January 2014 (has links)
This work addresses the question of the efficient numerical solution of time-domain boundary integral equations with retarded potentials arising in the problems of acoustic and electromagnetic scattering. The convolutional form of the time-domain boundary operators allows to discretize them with the help of Runge-Kutta convolution quadrature. This method combines Laplace-transform and time-stepping approaches and requires the explicit form of the fundamental solution only in the Laplace domain to be known. Recent numerical and analytical studies revealed excellent properties of Runge-Kutta convolution quadrature, e.g. high convergence order, stability, low dissipation and dispersion.
As a model problem, we consider the wave scattering in three dimensions. The convolution quadrature discretization of the indirect formulation for the three-dimensional wave equation leads to the lower triangular Toeplitz system of equations. Each entry of this system is a boundary integral operator with a kernel defined by convolution quadrature. In this work we develop an efficient method of almost linear complexity for the solution of this system based on the existing recursive algorithm. The latter requires the construction of many discretizations of the Helmholtz boundary single layer operator for a wide range of complex wavenumbers. This leads to two main problems:
the need to construct many dense matrices and to evaluate many singular and near-singular integrals.
The first problem is overcome by the use of data-sparse techniques, namely, the high-frequency fast multipole method (HF FMM) and H-matrices. The applicability of both techniques for the discretization of the Helmholtz boundary single-layer operators with complex wavenumbers is analyzed. It is shown that the presence of decay can favorably affect the length of the fast multipole expansions and thus reduce the matrix-vector multiplication times. The performance of H-matrices and the HF FMM is compared for a range of complex wavenumbers, and the strategy to choose between two techniques is suggested.
The second problem, namely, the assembly of many singular and nearly-singular integrals, is solved by the use of the Huygens principle. In this work we prove that kernels of the boundary integral operators $w_n^h(d)$ ($h$ is the time step and $t_n=nh$ is the time) exhibit exponential decay outside of the neighborhood of $d=nh$ (this is the consequence of the Huygens principle). The size of the support of these kernels for fixed $h$ increases with $n$ as $n^a,a<1$, where $a$ depends on the order of the Runge-Kutta method and is (typically) smaller for Runge-Kutta methods of higher order. Numerical experiments demonstrate that theoretically predicted values of $a$ are quite close to optimal.
In the work it is shown how this property can be used in the recursive algorithm to construct only a few matrices with the near-field, while for the rest of the matrices the far-field only is assembled. The resulting method allows to solve the three-dimensional wave scattering problem with asymptotically almost linear complexity. The efficiency of the approach is confirmed by extensive numerical experiments.
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Transmission electron microscopy studies of GaN/gamma-LiAlO 2 heterostructuresLiu, Tian-Yu 15 June 2005 (has links)
Die vorliegende Arbeit beschaeftigt sich mit dem strukturellen Aufbau von (1-100) M-plane GaN, das mit plasmaunterstuetzter Molekularstrahlepitaxie auf gamma-LiAlO2(100) Substraten gewachsen wurde. Die heteroepitaktische Ausrichtung einerseits, sowie die Mikrostruktur und die Erzeugungsmechanismen der Defekte andererseits, wurde mit der Transmissionselektronenemikroskopie (TEM) systematisch untersucht. Das gamma-LiAlO2 Substrat reagiert heftig im Mikroskop unter Bestrahlung mit hochenergetischen Elektronen. Waehrend dieser Strahlenschaedigung verliert das Material seine urspruengliche kristalline Struktur und vollzieht eine Phasentransformation, die anhand einer Serie von Feinbereichsbeugungsdiagrammen nachgewiesen werden konnte. Die atomare Grenzflaechenstruktur zwischen epitaktisch gewachsenem alpha-GaN(1-100) und tetragonalem gamma-LiAlO2 Substrat ist mittels HRTEM untersucht worden. Die neuartige Epitaxiebeziehung ist mit Elektronenbeugung bestaetigt worden und lautet folgendermassen: (1-100)GaN liegt parallel zu (100)gamma-LiAlO2 und [11-20]GaN ist parallel zu [001]gamma-LiAlO2. Die Realstruktur der M-plane GaN Schichten, die auf (100)gamma-LiAlO2 gewachsen werden, unterscheidet sich erheblich von der in C-plane Orientierung hergestellten Epischichten. Ausfuehrliche TEM Untersuchungen zeigen, dass die M-plane Schichten vor allem intrinsische (I1 und I2) und extrinsische (E) Stapelfehler in der Basalebene enthalten. Der vorherrschende I2 Stapelfehler besitzt keine Komponente des Verschiebungsvektors senkrecht zur Ebene und ist damit nicht geeignet, epitaktische Dehnung entlang der [11-20] Richtung abzubauen. Darueberhinaus ist eine komplexe Grenze in der (10-10) Prismen- flaeche entdeckt worden, die zur Grenzflaeche geneigt verlaeuft. Die Defekte in den M-plane GaN Epischichten werden waehrend der anfaenglichen Keimbildungsphase erzeugt. Atomare Stufen entlang der [001] Richtung auf dem LiAlO2 Substrat fuehren zur Bildung von Stapelfehlern vom Typ I2. / In this work the structure of (1-100)M-plane GaN epitaxially grown on gamma-LiAlO2(100) by using plasmaassisted molecular beam epitaxy (PAMBE) is studied. The heteroepitaxial alignment and the microstructure of M-plane GaN as well as the defect formation in the layer are systematically investigated by using transmission electron microscopy (TEM). The gamma-LiALO2 substrate reacts under irradiation of high-energy electrons in the TEM (200-300 keV).The material looses its original crystalline structure during this process undergoing irradiation damage followed by a phase transformation as it is verified by a series of selected area diffraction patterns taken under constant electron dose. The result is a structural phase transformation from the tetragonal gamma to the trigonal alpha phase. The atomic interface structure of epitaxially grown hexagonal alpha-GaN(1-100) layers on tetragonal gamma-LiAlO2 (100) substrates is investigated by means of HRTEM. The novel epitaxial orientation relationship verified by electron diffraction is given by (1-100)GaN parallel to (100)gamma-LiAlO2 and [11-20]GaN parallel to [001]gamma-LiAlO2. The defect structure of M-plane GaN epilayers grown on gamma-LiAlO2(100) substrates is different to that of C-plane GaN. Our detailed TEM studies reveal that the M-plane layers mainly contain intrinsic I1 and I2 and extrinsic E basal plane stacking faults. The dominant I2 stacking fault has no out-of-plane displacement vector component and is thus not qualified for epitaxial strain relief along the [11-20] axis. Beyond this, a complex type of planar defect is detected in the (10-10) prism plane which is inclined with respect to the interface. The study of nucleation samples shows that the surface morphology is directly correlated to the generation of the dominant planar defects. Atomic steps along the [001] direction in the gamma-LiAlO2 substrate result in the formation of basal plane stacking faults I2.
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