Displacement Green's function is the building block for some semi-analytical methods like Boundary Element Method (BEM), Distributed Point Source Method (DPCM), etc. In this thesis, the displacement Green`s function in anisotropic media due to a time harmonic point force is studied. Unlike the isotropic media, the Green's function in anisotropic media does not have a closed form solution. The dynamic Green's function for an anisotropic medium can be written as a summation of singular and non-singular or regular parts. The singular part, being similar to the result of static Green's function, is in the form of an integral over an oblique circular path in 3D. This integral can be evaluated either by a numerical integration technique or can be converted to a summation of algebraic terms via the calculus of residue. The other part, which is the regular part, is in the form of an integral over the surface of a unit sphere. This integral needs to be evaluated numerically and its evaluation is considerably more time consuming than the singular part. Obtaining dynamic Green's function and its spatial derivatives involves calculation of these two types of integrals. The spatial derivatives of Green's function are important in calculating quantities like stress and stain tensors. The contribution of this thesis can be divided into two parts. In the first part, different integration techniques including Gauss Quadrature, Simpson's, Chebyshev, and Lebedev integration techniques are tried out and compared for evaluation of dynamic Green’s function. In addition the solution from the residue theorem is included for the singular part. The accuracy and performance of numerical implementation is studied in detail via different numerical examples. Convergence plots are used to analyze the numerical error for both Green's function and its derivatives. The second part of contribution of this thesis relates to the mathematical derivations. As mentioned above, the regular part of dynamic Green's function, being an integral over the surface of a unit sphere, is responsible for the majority of computational time. From symmetry properties, this integration domain can be reduced to a hemisphere, but no more simplification seems to be possible for a general anisotropic medium. In this thesis, the integration domain for regular part is further reduced to a quarter of a sphere for the particular case of transversely isotropic material. This reduction proposed for the first time in this thesis nearly halves the number of integration points for the evaluation of regular part of dynamic Green's function. It significantly reduces the computational time.

In the dissertation, second-order and higher-order differential and discrete equations with additional conditions which are described by linearly independent linear functionals are investigated. The solutions to these problems, formulae and the existence conditions of Green's functions are presented, if the general solution of a homogeneous equation is known. The relation between two Green's functions of two nonhomogeneous problems for the same equation but with different additional conditions is obtained. These results are applied to problems with nonlocal boundary conditions. In the introduction the topicality of the problem is defined, the goals and tasks of the research are formulated, the scientific novelty of the dissertation, the methodology of research, the practical value and the significance of the results are presented. m-order differential problem and its Green's function are investigated in the first chapter. The relation between two Green's functions and the existence condition of Green's function are obtained. In the second chapter, the main definitions and results of the first chapter are formulated for the second-order differential equation with additional conditions. In the examples the application of the received results is analyzed for problems with nonlocal boundary conditions in detail. In the third chapter, the second-order difference equation with two additional conditions is considered. The expression of Green's function and its existence... [to full text] / Disertacijoje tiriami antros ir aukštesnės eilės diferencialinis ir diskretusis uždaviniai su įvairiomis, tame tarpe ir nelokaliosiomis, sąlygomis, kurios yra aprašytos tiesiškai nepriklausomais tiesiniais funkcionalais. Pateikiamos šių uždavinių Gryno funkcijų išraiškos ir jų egzistavimo sąlygos, jei žinoma homogeninės lygties fundamentalioji sistema. Gautas dviejų Gryno funkcijų sąryšis uždaviniams su ta pačia lygtimi, bet su papildomomis sąlygomis. Rezultatai pritaikomi uždaviniams su nelokaliosiomis kraštinėmis sąlygomis. Įvadiniame skyriuje aprašyta tiriamoji problema ir temos objektas, išanalizuotas temos aktualumas, išdėstyti darbo tikslai, uždaviniai, naudojama tyrimų metodika, mokslinis darbo naujumas ir gautų rezultatų reikšmė, pateikti ginamieji teiginiai ir darbo rezultatų aprobavimas. m-tosios eilės diferencialinis uždavinys ir jo Gryno funkcija nagrinėjami pirmajame skyriuje. Surastas uždavinio sprendinys, išreikštas per Gryno funkciją. Pateikta Gryno funkcijos egzistavimo sąlyga. Antrajame skyriuje pateikti pirmojo skyriaus pagrindiniai apibrėžimai ir rezultatai antros eilės diferencialinei lygčiai. Pavyzdžiuose išsamiai išanalizuotas gautų rezultatų pritaikymas uždaviniams su nelokaliosiomis kraštinėmis sąlygomis. Trečiajame skyriuje nagrinėjama antros eilės diskrečioji lygtis su dviem sąlygomis. Surastos diskrečiosios Gryno funkcijos išraiška ir jos egzistavimo sąlyga. Taip pat pateiktas dviejų Gryno funkcijų sąryšis, kuris leidžia surasti diskrečiosios... [toliau žr. visą tekstą]

Disertacijoje tiriami antros ir aukštesnės eilės diferencialinis ir diskretusis uždaviniai su įvairiomis, tame tarpe ir nelokaliosiomis, sąlygomis, kurios yra aprašytos tiesiškai nepriklausomais tiesiniais funkcionalais. Pateikiamos šių uždavinių Gryno funkcijų išraiškos ir jų egzistavimo sąlygos, jei žinoma homogeninės lygties fundamentalioji sistema. Gautas dviejų Gryno funkcijų sąryšis uždaviniams su ta pačia lygtimi, bet su papildomomis sąlygomis. Rezultatai pritaikomi uždaviniams su nelokaliosiomis kraštinėmis sąlygomis. Įvadiniame skyriuje aprašyta tiriamoji problema ir temos objektas, išanalizuotas temos aktualumas, išdėstyti darbo tikslai, uždaviniai, naudojama tyrimų metodika, mokslinis darbo naujumas ir gautų rezultatų reikšmė, pateikti ginamieji teiginiai ir darbo rezultatų aprobavimas. m-tosios eilės diferencialinis uždavinys ir jo Gryno funkcija nagrinėjami pirmajame skyriuje. Surastas uždavinio sprendinys, išreikštas per Gryno funkciją. Pateikta Gryno funkcijos egzistavimo sąlyga. Antrajame skyriuje pateikti pirmojo skyriaus pagrindiniai apibrėžimai ir rezultatai antros eilės diferencialinei lygčiai. Pavyzdžiuose išsamiai išanalizuotas gautų rezultatų pritaikymas uždaviniams su nelokaliosiomis kraštinėmis sąlygomis. Trečiajame skyriuje nagrinėjama antros eilės diskrečioji lygtis su dviem sąlygomis. Surastos diskrečiosios Gryno funkcijos išraiška ir jos egzistavimo sąlyga. Taip pat pateiktas dviejų Gryno funkcijų sąryšis, kuris leidžia surasti diskrečiosios... [toliau žr. visą tekstą] / In the dissertation, second-order and higher-order differential and discrete equations with additional conditions which are described by linearly independent linear functionals are investigated. The solutions to these problems, formulae and the existence conditions of Green's functions are presented, if the general solution of a homogeneous equation is known. The relation between two Green's functions of two nonhomogeneous problems for the same equation but with different additional conditions is obtained. These results are applied to problems with nonlocal boundary conditions. In the introduction the topicality of the problem is defined, the goals and tasks of the research are formulated, the scientific novelty of the dissertation, the methodology of research, the practical value and the significance of the results are presented. m-order differential problem and its Green's function are investigated in the first chapter. The relation between two Green's functions and the existence condition of Green's function are obtained. In the second chapter, the main definitions and results of the first chapter are formulated for the second-order differential equation with additional conditions. In the examples the application of the received results is analyzed for problems with nonlocal boundary conditions in detail. In the third chapter, the second-order difference equation with two additional conditions is considered. The expression of Green's function and its existence... [to full text]

In this work, we establish the Lyapunov-type inequalities for the fractional boundary value problems with Hilfer derivative for different boundary conditions. We apply this inequality to fractional eigenvalue problems and prove one of the important results of real zeros of certain Mittag-Leffler functions and improve the bound of the eigenvalue using the Cauchy-Schwarz inequality and Semi-maximum norm. We extend it for higher order cases.

In the first part of this thesis, we prove two density theorems for quadrature domains in Cn ,n≥2. It is shown that quadrature domains are dense in the class of all product domains of the form D×Ωwhere D⊂Cn−1 is a smoothly bounded pseudoconvex domain satisfying Bell’s Condition R and Ω⊂Cis a smoothly bounded domain. It is also shown that quadrature domains are dense in the class of all smoothly bounded complete Hartogs domains in C2. In the second part of this thesis, we study the behaviour of the critical points of the Green’s function when a sequence of domains Dk⊂Rn con-verges to a limiting domain Din the C∞-topology. It is shown that the limit-ing set of the critical points of the Green’s functions Gkfor domains Dk⊂Care the zeroes of the Bergman kernel of D. This generalizes a result of Solynin and Gustafsson, Sebbar.

The transport properties of zigzag graphene nanoribbons (zGNRs) were studied by density functional theory (DFT) in conjunction with Green’s function analysis. In particular, spin transport through a zGNR (12,0) device was investigated under the constraint of ferromagnetic coordination of the ribbon edges. Several configurations with two vacant sites in the edge and the bulk region of the zGNR device were derived from this system. For all structures, magnetocurrent ratios (MCRs) were recorded as a function of the bias as well as the amount of strain applied longitudinally to the devices. ZGNR devices with vacancies in the edge regime turn out to exhibit perfect spin-filter activity for well-defined choices of the strain and the bias, carrying completely polarized minority spin currents. In the alternative structure, characterized by vacancies in the bulk regime, spin currents with majority orientation prevail. With respect to both the sign and the size, the MCR is seen to depend sensitively on the device parameters, i.e., the vacancy locations, the bias, and the amount of strain. These results are interpreted in terms of density-of-states distributions, transmission spectra, and transmission operator eigenstates.

The low dimensions of the state-of-the-art nanoscale transistors exhibit increasing quantum mechanical effects, which are no longer negligible. Gate tunneling current is one of such effects, that is responsible for high power consumption and high working temperature in microprocessors. This in turn put limits on further down scaling of devices. Therefore modeling and calculation of tunneling current is of a great interest. This work provides a review of existing models for the calculation of the gate tunneling current in MOSFETs. The quantum mechanical effects are studied with a model, based on a self-consistent solution of the Schrödinger and Poisson equations within the effective mass approximation. The calculation of the tunneling current is focused on models based on the calculation of carrier’s lifetime on quasi-bound states (QBSs). A new method for the determination of carrier’s lifetime is suggested and then the tunneling current is calculated for different samples and compared to measurements. The model is also applied to the extraction of the “tunneling effective mass” of electrons in ultrathin oxynitride gate dielectrics. Ultrathin gate dielectrics (tox<2 nm) consist of only few atomic layers. Therefore, atomic scale deformations at interfaces and within the dielectric could have great influences on the performance of the dielectric layer and consequently on the tunneling current. On the other hand the specific material parameters would be changed due to atomic level deformations at interfaces. A combination of DFT and NEGF formalisms has been applied to the tunneling problem in the second part of this work. Such atomic level ab initio models take atomic level distortions automatically into account. An atomic scale model interface for the Si/SiO2 interface has been constructed and the tunneling currents through Si/SiO2/Si stack structures are calculated. The influence of single and double oxygen vacancies on the tunneling current is investigated. Atomic level distortions caused by a tensile or compression strains on SiO2 layer as well as their influence on the tunneling current are also investigated. / Die vorliegende Arbeit beschäftigt sich mit der Berechnung von Tunnelströmen in MOSFETs (Metal-Oxide-Semiconductor Field Effect Transistors). Zu diesem Zweck wurde ein quantenmechanisches Modell, das auf der selbstkonsistenten Lösung der Schrödinger- und Poisson-Gleichungen basiert, entwickelt. Die Gleichungen sind im Rahmen der EMA gelöst worden. Die Lösung der Schrödinger-Gleichung unter offenen Randbedingungen führt zur Berechnung von Ladungsverteilung und Lebensdauer der Ladungsträger in den QBSs. Der Tunnelstrom wurde dann aus diesen Informationen ermittelt. Der Tunnelstrom wurde in verschiedenen Proben mit unterschiedlichen Oxynitrid Gatedielektrika berechnet und mit gemessenen Daten verglichen. Der Vergleich zeigte, dass die effektive Masse sich sowohl mit der Schichtdicke als auch mit dem Stickstoffgehalt ändert. Im zweiten Teil der vorliegenden Arbeit wurde ein atomistisches Modell zur Berechnung des Tunnelstroms verwendet, welche auf der DFT und NEGF basiert. Zuerst wurde ein atomistisches Modell für ein Si/SiO2-Schichtsystem konstruiert. Dann wurde der Tunnelstrom für verschiedene Si/SiO2/Si-Schichtsysteme berechnet. Das Modell ermöglicht die Untersuchung atom-skaliger Verzerrungen und ihren Einfluss auf den Tunnelstrom. Außerdem wurde der Einfluss einer einzelnen und zwei unterschiedlich positionierter neutraler Sauerstoffleerstellen auf den Tunnelstrom berechnet. Zug- und Druckspannungen auf SiO2 führen zur Deformationen in den chemischen Bindungen und ändern den Tunnelstrom. Auch solche Einflüsse sind anhand des atomistischen Modells berechnet worden.

Ce mémoire traite de l’harmonicitié d’instruments de musique à travers la géométrie spectrale. Nous y présentons, en premier lieu, les résultats connus concernant la corde de guitare, le tambour circulaire et puis le tabla ; le premier est harmonique, le deuxième ne l’est pas et puis le dernier s’en approche. Le cas de la timbale est ce qui constitue la majeure partie de notre travail. L’ingénieur-physicien Robert E. Davis en avait déjà étudié la quasi-harmonicité et nous faisons ici une relecture mathématique de sa démarche. En alliant les méthodes analytiques et numériques, nous montrons que la caisse de résonance de la timbale permet à la fois d’ajuster les fréquences de vibration de la forme ω_(i1) , avec 1 ≤ i ≤ 5, afin qu’elles s’approchent du rapport idéal 2 : 3 : 4 : 5 : 6, et elle permet aussi d’étouffer certains autres modes dissonants. Pour ce faire, nous élaborons un modèle simplifié de timbale cylindrique basé sur la physique et sur ce que propose Davis dans sa thèse. Ce modèle nous fournit un système d’équations divisé en trois parties : la vibration de la peau et la pression à l’intérieur et à l’extérieur de la timbale. Nous utilisons la méthode des fonctions de Green pour trouver les expressions des deux pressions. Nous nous servons de celles-ci ainsi que d’un développement en série de Fourier-Bessel modifiée pour résoudre les équations de la vibration de la peau. La résolution de ces équations se ramène finalement à celle d’un système matriciel infini dont nous faisons l’analyse numériquement. À l’aide de Mathématica et de ce système matriciel, nous trouvons les fréquences de vibration de la timbale, ce qui nous permet d’analyser l’harmonicité de l’instrument. Grâce à une mesure de dissonance, nous optimisons l’harmonicité de la timbale en fonction du rayon du cylindre, de sa hauteur et de la tension. / This thesis deals with the harmonicity of musical instruments through spectral geometry. First, we present the known results concerning the guitar string, the circular drum and the tabla ; the first is harmonic, the second is not, and the last is somewhere in between. The case of the timpani constitutes the major part of our work. The physicist-engineer Robert E. Davis had already studied its quasi-harmonicity and here we undergo a mathematical proofreading of his approach. By combining analytical and numerical methods, we show that the sound box of the timpani allows an adjustement of the vibration frequencies of the form ω_(i1) , with 1 ≤ i ≤ 5, so that they get close to the ideal 2 : 3 : 4 : 5 : 6 ratio, while it also stifles some other dissonant modes. To do so, we develop a simplified model of a cylindrical timpani based on physics and on what Davis suggests in his thesis. This model provides a system of equations divided into three parts : the vibration of the skin and the pressure inside and outside the timpani. We use the method of Green’s functions to find the expressions of the pressures. We use these together with a modified Fourier-Bessel series development to solve the equations of the vibration of the skin. In the end, the solving of these equations is reduced to an infinite matrix system that we analyze numerically. Using Mathematica and this matrix system, we find the vibrational frequencies of the timpani, which allows us to analyze the harmonicity of the instrument. Thanks to a measure of dissonance, we optimize the harmonicity of different timpani models with different cylinder radii, heights and tensions.

Eine wichtige Invariante von Modulkurven ist die arithmetische Selbstschnittzahl der relativ dualisierenden Garbe. Auf dem minimalen regulären Modell von X(N) ist diese Selbstschnittzahl durch den gewöhnlichen Schnitt einiger ausgezeichneter vertikaler Divisoren (dem geometrischen Beitrag) und durch die Auswertung der kanonischen Greenschen Funktion an einigen Spitzen (dem analytischen Beitrag) vollständig festgelegt. Das Ziel dieser Arbeit ist es, jeden dieser Beiträge in Abhängigkeit von der Stufe N zu bestimmen und das asymptotische Verhalten der Selbstschnittzahl zu studieren, wenn die Stufe N gegen unendlich geht. / An important invariant of modular curves is the arithmetic self-intersection of the relative dualizing sheaf. On the minimal regular model of X(N) this self-intersection is completely described by the usual intersection of some distinguished vertical divisors (geometric contribution) and the evaluation of the canonical Green’s function at certain cusps (analytic contribution). The aim of this thesis is to determine each of these contributions in terms of the level N and study the asymptotic behaviour of the self-intersection as N tends to infinity.

Cette thèse porte sur l’étude théorique de nouveaux concepts de transistors en graphène par le formalisme des fonctions de Green dans l’hypothèse du transport balistique. Le graphène est un matériau bidimensionnel composé d’atomes de carbone organisés en nid d’abeille. Cette structure confère des propriétés uniques aux porteurs de charge dans le graphène, comme une masse effective nulle et un comportement ultra-relativiste (fermions de Dirac), ce qui conduit à des mobilités extraordinairement élevées. C’est pourquoi des efforts très importants ont été mis en œuvre dans la communauté scientifique pour la réalisation de transistors en graphène. Cependant, en vue de nombreuses applications, le graphène souffre de l’absence d’une bande d’énergie interdite. De plus, dans le cas des transistors conventionnels à base de graphène (GFET), cette absence de bande interdite, combinée avec l’apparition de l’effet tunnel de Klein, a pour effet de dégrader considérablement le rapport I_ON/I_OFF des GFET. L’absence de gap empêche également toute saturation du courant dans la branche N – là où se trouve le maximum de transconductance pour des sources et drain dopés N – et ne permet donc pas de tirer profit des très bonnes performances fréquentielles que le graphène est susceptible d’offrir grâce aux très hautes mobilités de ses porteurs. Cependant, de précédents travaux théorique et expérimentaux ont montré que la réalisation d’un super-réseau d’anti-dots dans la feuille de graphène – appelée Graphene NanoMesh (GNM) – permettait d’ouvrir une bande interdite dans le graphène. On s’est donc d’abord proposé d’étudier l’apport de l’introduction de ce type de structure pour former canal des transistors – appelés GNMFET – par rapport aux GFET « conventionnels ». La comparaison des résultats obtenus pour un GNM-FET avec un GFET de mêmes dimensions permettent d’affirmer que l’on peut améliorer le rapport I_ON/I_OFF de 3 ordres de grandeurs pour une taille et une périodicité adéquate des trous. Bien que l’introduction d’un réseau de trous réduise légèrement la fréquence de coupure intrinsèque f_T, il est remarquable de constater que la bonne saturation du courant dans la branche N, qui résulte de la présence de la bande interdite dans le GNM, conduit à une fréquence maximale d’oscillation f_max bien supérieure dans le GNM-FET. Le gain en tension dans ce dernier est aussi amélioré d’un ordre de grandeur de grandeur par rapport au GFET conventionnel. Bien que les résultats sur le GNM-FET soient très encourageants, l’introduction d’une bande interdite dans la feuille de graphène induit inévitablement une masse effective non nulle pour les porteurs, et donc une vitesse de groupe plus faible que dans le graphène intrinsèque. C’est pourquoi, en complément de ce travail, nous avons exploré la possibilité de moduler le courant dans un GFET sans ouvrir de bande interdite dans le graphène. La solution que nous avons proposée consiste à utiliser une grille triangulaire à la place d’une grille rectangulaire. Cette solution exploite les propriétés du type "optique géométrique" des fermions de Dirac dans le graphène, qui sont inhérentes à leur nature « Chirale », pour moduler l’effet tunnel de Klein dans le transistor et bloquer plus efficacement le passage des porteurs dans la branche P quand le dopage des sources et drains sont de type N. C’est pourquoi nous avons choisi d’appeler ce transistor le « Klein Tunneling FET » (KTFET). Nous avons pu montrer que cette géométrie permettrait d’obtenir un courant I_off plus faible que ce qui est obtenu d’habitude, pour la même surface de grille, pour les GFET conventionnels. Cela offre la perspective d’une nouvelle approche de conception de dispositifs permettant d’exploiter pleinement le caractère de fermions de Dirac des porteurs de charges dans le graphène. / This thesis is a theoretical study of new concepts of graphene-based transistors using non equilibrium Green’s function formalism in the ballistic limit. Graphene is a two-dimensional material made of a honeycomb arrangement of carbon atoms. This crystallographic structure allows electrons to behave like ultra-relativistic particles, namely massless Dirac fermions. This yields extraordinary high mobility for charge carriers in this material and a huge potential for high frequency applications. Consequently, strong efforts have been made in the scientific community towards the implementation of this material as a channel for field effect transistors. Unfortunately, graphene suffers from the lack of an energy band gap, and the Klein tunneling effect that takes place in Graphene Field Effect Transistor’s (GFET) channel makes it impossible to back-scatter completely the carriers even for high potential barriers. This degrades considerably the I_ON/I_OFF ratio obtained in GFETs. Additionally, the absence of a band gap makes it impossible to obtain current saturation in the N branch, where the maximum of transconductance is reached for n-doped source and drain regions, preventing to take full advantage from the huge potential for high frequency application of graphene. Fortunately, it has been demonstrated in both theoretical and experimental works that Graphene NanoMesh (GNM), a structure obtained after punching an anti-dot super-lattice in the graphene sheet, can open a band gap for charge carriers. This has motivated our study of a field effect transistor where the GNM is used as a channel (GNMFET) and to compare its performance with the conventional GFET. Our study showed that the use of this type of transistors can improve the I_ON/I_OFF ratio up to 3 orders of magnitude when the GNM is carefully chosen. Though the introduction of the anti-dots in the graphene sheet reduces the transit frequency f_T, it is remarkable that the good saturation that occurs in the N branch, as a result of the band gap opening, yields a much higher maximum oscillation frequency f_max in the GNMFET. The voltage gain is also improved by an order of magnitude compared to its GFET counterpart. Though the performance of the GNMFET is very encouraging, the band gap opening in the GNM confers a finite effective mass to the carriers in graphene, resulting in lower group velocity compared to the case of pristine graphene. This is why we explored a new solution that avoids the band gap opening to modulate the current in graphene-based transistors. We proposed the use of a triangular gate of the transistor. The operation of this transistor relies on optics-like behavior of Dirac fermions that emerges from their “chiral” properties, giving the possibility to modulate the Klein tunneling. We called this transistor the “Klein Tunneling Field Effect Transistor” (KTFET), and we showed that that this prismatic gate shape enables the KTFET to have an “OFF” current I_OFF that is lower than the one that it obtained for the conventional GFET and which is determined by the Dirac point. This study paves the way for a new approach to designing graphene devices which fully exploits the Dirac fermions nature of particles in graphene.