Rozprawy doktorskie na temat „Solid State Physics - Crystallinity”
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Egan, John Mathew. "Solid state diffusion in Pd₂Si". Master's thesis, University of Cape Town, 1986. http://hdl.handle.net/11427/22141.
Pełny tekst źródłaGustafsson, Christina. "Solid state characterisation and compaction behaviour of pharmaceutical materials". Doctoral thesis, Uppsala University, Department of Pharmacy, 2000. http://urn.kb.se/resolve?urn=urn:nbn:se:uu:diva-509.
Pełny tekst źródłaIn this thesis, factors important in tableting operations and for tablet properties have been studied and characterised by different spectroscopic techniques as well as by some more conventionally used particle characterisation techniques. The spectroscopic techniques solid-state NMR, FT-IR and NIR spectroscopy, proved to be valuable tools in the estimation of particle and tablet properties, offering both specificity and sensitivity in the measurements. Because of the large amount of information obtained in a spectrum, multivariate data analysis was in some cases used in the processing of the spectral data. Correlations between the solid state structure measured by spectroscopy and the particle and tablet properties could be obtained including useful prediction models.
The surface area obtained using different principles has in this thesis been shown to reflect different properties and tableting behaviour of a collection of pharmaceutical materials. The particle shape and the external surface area of the powders measured by permeametry, were found to be important factors for the tensile strength of tablets made of hydroxypropyl methylcellulose. Furthermore, the external surface area could be used to access dominating interparticulate bonding mechanisms in compacts of different materials by normalising the tablet tensile strength for the tablet surface area. It was also shown that for materials prone to develop solid bridges, the actual surface area participating in the bonding was more important than the average interparticulate distance.
When studying the properties of microcrystalline cellulose and cellulose powder from the alga Cladophora sp., the cellulose fibril surface area estimated by solid-state NMR resulted in better correlations to the tableting behaviour and to tablet disintegration than the external permeametric surface area did. It was suggested that the difference in fibril surface area of the two celluloses was the primary factor responsible for properties like the crystallinity and the disintegration of the tablets.
Hu, Jiahuan. "Strain-Induced Crystallization of Natural Rubber and Isoprene Rubber Studied by Solid-State NMR Spectroscopy". University of Akron / OhioLINK, 2014. http://rave.ohiolink.edu/etdc/view?acc_num=akron1397087771.
Pełny tekst źródłaEsser, M. J. Daniel. "Diode-end-pumped solid-state lasers". Thesis, Link to the online version, 2005. http://hdl.handle.net/10019/1020.
Pełny tekst źródłaJackson, P. "Dipolar coupling in solid-state NMR". Thesis, Durham University, 1987. http://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.379058.
Pełny tekst źródłaPrakash, Arati Prakash. "Magneto Thermal Coupling in Solid State Transport". The Ohio State University, 2018. http://rave.ohiolink.edu/etdc/view?acc_num=osu1514502118670282.
Pełny tekst źródłaBrown, Marco J. "Selective inversion in solid-state deuteron NMR". W&M ScholarWorks, 1996. https://scholarworks.wm.edu/etd/1539623900.
Pełny tekst źródłaVlassarev, Dimitar. "DNA Characterization with Solid-State Nanopores and Combined Carbon Nanotube across Solid-State Nanopore Sensors". Thesis, Harvard University, 2012. http://dissertations.umi.com/gsas.harvard:10310.
Pełny tekst źródłaPhysics
Preda, Florentina Maria. "Dynamics of polyamide in the solid state in presence of solvents and in the molten state". Thesis, Lyon, 2016. http://www.theses.fr/2016LYSE1001/document.
Pełny tekst źródłaDynamics in the solid state in presence of solvents: Polyamides are a family of semi crystalline thermoplastic polymers widely employed in the automotive industry due to its excellent thermal stability and mechanical properties. However, polyamide can be significantly affected by the absorption of low molecular weight penetrants like water. The rate of sorption and amount of absorbed solvent depend on the mechanisms of interaction between solvent and polyamide, along with sorption and diffusion mechanisms. Diffusion and sorption of solvents in polymers can be very complex because of the existence of specific interactions (non-polar or polar), dynamic heterogeneities in the amorphous phase, modification of the polymer dynamics induced by the solvents and different crystalline phases. In polyamide/solvent systems, all of these factors have to be taken into account. A first part of this study focused on the accessibility of the amorphous phase in semicrystalline polyamides. A comparison between a 100% amorphous polyamide and its semicrystalline counterpart of equivalent chemical structure suggests that the amorphous phase in semi-crystalline polyamide is not entirely accessible to the solvents. A second part of this study focused on the diffusion mechanisms of water and ethanol in polyamide. Fickian or non- Fickian diffusion mechanisms could be explained by the variation of the diffusion coefficients as a function of solvent concentration. Moreover, the relationship between water diffusion and the dynamics of the amorphous phase in polyamide was investigated. A simple comparison of dielectric characteristic relaxation times with the timescale of diffusion suggests that diffusion and polyamide alpha relaxation (associated to the glass transition) should not be directly correlated. However, diffusion is correlated to the secondary beta relaxation, which encompasses the local chain dynamics of hydrogen bonded amide groups in the presence of water. A mechanism of diffusion based on the trapping of water molecules between neighboring sorption sites (amide groups) is proposed in these strongly interacting polymers
Johnson, D. R. "The microstructure of all-solid-state batteries". Thesis, University of Oxford, 1986. http://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.375262.
Pełny tekst źródłaElder, Ian F. "Diode-pumped two micron solid-state lasers". Thesis, University of Strathclyde, 1997. http://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.284812.
Pełny tekst źródłaCalmes, Lonnie Kirkland. "Solid-state Raman image amplification". Diss., The University of Arizona, 1998. http://hdl.handle.net/10150/288920.
Pełny tekst źródłaVan, der Westhuizen Gysbert Johannes. "Numerical design of an optical solid-state amplifier". Thesis, Stellenbosch : Stellenbosch University, 2007. http://hdl.handle.net/10019.1/21915.
Pełny tekst źródłaLynch, Jonathan William. "Laser (Cooling) Refrigeration in Erbium Based Solid State Materials". Diss., Temple University Libraries, 2015. http://cdm16002.contentdm.oclc.org/cdm/ref/collection/p245801coll10/id/358684.
Pełny tekst źródłaPh.D.
The objective of this study was to investigate the potential of erbium based solid state materials for laser refrigeration in bulk material. A great deal of work in the field has been focused on the use of ytterbium based ZBLAN glass. Some experiments have also reported cooling in thulium based solid state materials but with considerably less success. We proposed that erbium had many attractive features compared to ytterbium and therefore should be tried for cooling. The low lying energy level structure of erbium provides energy levels that could bring obtainable temperatures two orders of magnitude lower. Erbium transitions of interest for cooling fall in the near IR region (0.87 microns and 1.5 microns). Lasers for one of these transitions, in the 1.5 micron region, are well developed for communication and are in the eye-safe and water and atmosphere transparent region. Theoretical calculations are also presented so as to identify energy levels of the eleven 4f electrons in Er3+ in Cs2NaYCl6:Er3+ and the transitions between them. The strengths of the optical transitions between them have been calculated. Knowledge of such energy levels and the strength of the laser induced transitions between them is crucial for understanding the refrigeration mechanisms and different energy transfer pathways following the laser irradiation. The crystal host for erbium was a hexa-chloro-elpasolite crystal, Cs2NaYCl6:Er3+ with an 80% (stoichiometric) concentration of erbium. The best cooling results were obtained using the 0.87 micron transition. We have demonstrated bulk cooling in this crystal with a temperature difference of ~6.2 K below the surrounding temperature. The temperatures of the crystal and its immediate surrounding environment were measured using differential thermometry. Refrigeration experiments using the 1.5 micron transition were performed and the results are presented. The demonstrated temperature difference was orders of magnitude smaller. Only a temperature of ~0.015 K below the temperature of the surrounding environment was observed in this case. These results are in agreement with another group’s that has observed cooling, though a slightly poorer temperature difference, using this transition of erbium (Condon et. al., 2009). Cooling was also attempted in the 0.87 micron transition of another crystal host, KPb2Cl5:Er, which has a concentration of about one percent of erbium. We did not observe any cooling in this crystal. However, the first cooling reports in erbium based systems were with this crystal where another group observed cooling by 0.7 K using the same transition (Fernández, García-Adeva, & Balda, 2006).
Temple University--Theses
Orr, Simon Timothy. "Multinuclear solid-state NMR of fuel cell materials". Thesis, University of Warwick, 2010. http://wrap.warwick.ac.uk/35532/.
Pełny tekst źródłaBhattacharya, Prodipta. "Solid state NMR studies of ferroelectric relaxor materials". Thesis, University of Warwick, 2005. http://wrap.warwick.ac.uk/66666/.
Pełny tekst źródłaVlachou, Maria C. "17O solid state NMR study of ceria systems". Thesis, University of Warwick, 2017. http://wrap.warwick.ac.uk/108288/.
Pełny tekst źródłaKuan, Aaron. "Ultra-Thin Solid-State Nanopores: Fabrication and Applications". Thesis, Harvard University, 2016. http://nrs.harvard.edu/urn-3:HUL.InstRepos:33493498.
Pełny tekst źródłaEngineering and Applied Sciences - Applied Physics
Maker, Gareth Thomas. "Diode laser pumped solid state lasers". Thesis, University of Southampton, 1990. https://eprints.soton.ac.uk/397281/.
Pełny tekst źródłaHaydock, Sarah Amanda. "In situ vibrational spectroscopy of thin organic films confined at the solid-solid interface". Thesis, University of Oxford, 2002. http://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.270369.
Pełny tekst źródłaDrummond-Brydson, Richard. "Electron energy loss spectroscopy in solid-state chemistry". Thesis, University of Cambridge, 1988. http://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.237906.
Pełny tekst źródłaCheng, Chi-Feng. "Solid-state NMR studies of mesoporous molecular sieves". Thesis, University of Cambridge, 1995. http://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.243004.
Pełny tekst źródłaCanessa, E. "Statistical physics of colloidal dispersions". Thesis, University of East Anglia, 1989. http://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.314412.
Pełny tekst źródłaBates, Matthew. "Theoretical investigation of solid state cooling using spin models". Thesis, University of Warwick, 2015. http://wrap.warwick.ac.uk/79564/.
Pełny tekst źródłaBlackband, S. J. "NMR imaging of liquid-solid systems". Thesis, University of Nottingham, 1985. http://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.356019.
Pełny tekst źródłaFleming, F. A. "Proton conduction in solid germanium phosphates". Thesis, University of Leeds, 1985. http://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.356446.
Pełny tekst źródłaBollig, Christoph. "Single-frequency diode-pumped solid-state lasers". Thesis, University of Southampton, 1997. https://eprints.soton.ac.uk/378587/.
Pełny tekst źródłaGoddard, Yanina Anatolievna. "Solid state NMR characterization of conductive polyanilines". W&M ScholarWorks, 2004. https://scholarworks.wm.edu/etd/1539623435.
Pełny tekst źródłaDauphinais, Guillaume. "Fabrication, structural relaxation, and flow in solid-state nanopores". Thesis, McGill University, 2012. http://digitool.Library.McGill.CA:80/R/?func=dbin-jump-full&object_id=107651.
Pełny tekst źródłaDes nanopores ont été fabriqués dans de minces couches suspendues de nitrure de silicium amorphe. En utilisant un faisceau d'électrons focalisé et un faisceau d'ions focalisé, des diamètres entre 0.7 nm et 315 nm ont été obtenus. La relaxation struturelle de nanopores fabriqués par faisceau focalisé d'électrons a été observée. Dépendamment du diamètre inital du nanopore et de sa longueur, deux phases distinctes ont été identifiées. Un montage expérimental permettant la mesure de l'écoulement de masse d'hélium causé par l'application d'une différence de pression a été réalisé. La mesure de conductance de nanopores ayant un diamètre compris entre 25 nm et 315 nm a été effectuée. Un simple modèle phénoménologique permet de décrire quantitativement l'écoulement de gaz dans un court nanopore cylindrique.
Reams, Patrick William. "Solid-state N.M.R. studies of platinum and tin compounds". Thesis, Durham University, 1986. http://etheses.dur.ac.uk/6793/.
Pełny tekst źródłaWestwood, Stephen Mark. "The physics of magnetic particle inspection". Thesis, Durham University, 1993. http://etheses.dur.ac.uk/5525/.
Pełny tekst źródłaBrierley, Richard Thomas. "Far-from-equilibrium many-body physics in solid state systems". Thesis, University of Cambridge, 2012. http://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.610799.
Pełny tekst źródłaGullans, Michael John. "Controlling Atomic, Solid-State and Hybrid Systems for Quantum Information Processing". Thesis, Harvard University, 2013. http://dissertations.umi.com/gsas.harvard:11146.
Pełny tekst źródłaPhysics
Marasli, Necmettin. "The measurement of solid-liquid surface energy". Thesis, University of Oxford, 1994. http://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.260154.
Pełny tekst źródłaCodd, Sarah. "3DFT NMR imaging of solid-like materials". Thesis, University of Kent, 1996. http://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.318105.
Pełny tekst źródłaYoung, Kevin Edward. "Ionic conductivity in silicate - containing solid electrolytes". Thesis, University of Exeter, 1991. http://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.335654.
Pełny tekst źródłaAkeroyd, Frederick Anthony. "The sticking of molecules to solid surfaces". Thesis, University of Cambridge, 1993. http://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.309088.
Pełny tekst źródłaSmith, Thomas Benjamin. "Entanglement and measurement of solid-state qubits". Thesis, The University of Sydney, 2020. https://hdl.handle.net/2123/24894.
Pełny tekst źródłaYeung, R. R. "Nuclear spin relaxation and morphology of solid polyolefins". Thesis, University of East Anglia, 1985. http://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.356619.
Pełny tekst źródłaIoannou, Andreas Stylianou. "Development of solid state thick film zirconia oxygen gas sensors". Thesis, Middlesex University, 1992. http://eprints.mdx.ac.uk/6549/.
Pełny tekst źródłaAlsanoosi, A. M. "Quantum tunnelling motion of methyl groups in the solid state". Thesis, University of Nottingham, 1988. http://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.304699.
Pełny tekst źródłaRidder, Trent D. "Exploring expanded wavelength regions with solid state focal plane detectors". Diss., The University of Arizona, 2000. http://hdl.handle.net/10150/289195.
Pełny tekst źródłaGlasson, Philip Henry. "Surface state electrons in a helium micro-channel". Thesis, Royal Holloway, University of London, 2002. http://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.272323.
Pełny tekst źródłaJin, Gongjiu. "DLTS studies of surface state effects in GaAsFETs". Thesis, Lancaster University, 1991. http://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.316292.
Pełny tekst źródłaRollins, Jameson Graef 1976. "Intensity stabilization of a solid-state laser for interferometric gravitational wave detectors". Thesis, Massachusetts Institute of Technology, 2004. http://hdl.handle.net/1721.1/29368.
Pełny tekst źródłaIncludes bibliographical references (p. 69-71).
A high-power, low noise photo-detector, in conjunction with a current shunt actuator has been used in an AC-coupled servo to stabilize the intensity of a 10 Watt continuous-wave Nd:YAG laser. A relative intensity noise of 1 x 10⁻⁸ [square root] Hz at 10 Hz has been achieved.
by Jameson Graef Rollins.
S.M.
Fairbanks, Matthew Stetson 1981. "Electron transport in micro to nanoscale solid state networks". Thesis, University of Oregon, 2010. http://hdl.handle.net/1794/10585.
Pełny tekst źródłaThis dissertation focuses on low-dimensional electron transport phenomena in devices ranging from semiconductor electron 'billiards' to semimetal atomic clusters to gold nanoparticles. In each material system, the goal of this research is to understand how carrier transport occurs when many elements act in concert. In the semiconductor electron billiards, magnetoconductance fluctuations, the result of electron quantum interference within the device, are used as a probe of electron transport through arrays of one, two, and three connected billiards. By combining two established analysis techniques, this research demonstrates a novel method for determining the quantum energy level spacing in each of the arrays. That information in turn shows the extent (and limits) of the phase-coherent electron wavefunction in each of the devices. The use of the following two material systems, the semimetal atomic clusters and the gold nanoparticles, is inspired by the electron billiard results. First, the output of the simple, rectangular electron billiards, the magnetoconductance fluctuations, is quite generally found to be fractal. This research addresses the question of what output one might expect from a device with manifestly fractal geometry by simulating the electrical response of fractal resistor networks and by outlining a method to implement such devices in fractal aggregates of semimetal atomic clusters. Second, in gold nanoparticle arrays, the number of array elements can increase by orders of magnitude over the billiard arrays, all with the potential to stay in a similar, phase-coherent transport regime. The last portion of this dissertation details the fabrication of these nanoparticle-based devices and their electrical characteristics, which exhibit strong evidence for electron transport in the Coulomb-blockade regime. A sketch for further 'off-blockade' experiments to realize magnetoconductance fluctuations, i.e. phase-coherent electron phenomena, is presented.
Committee in charge: Jens Noeckel, Chairperson, Physics; Richard Taylor, Member, Physics; Heiner Linke, Member, Physics; David Strom, Member, Physics; James Hutchison, Outside Member, Chemistry
Sean, David. "On the mobility of partially denatured DNA in gel electrophoresis: a theoretical investigation". Thesis, University of Ottawa (Canada), 2010. http://hdl.handle.net/10393/28742.
Pełny tekst źródłaMcGowan, Shona. "«In situ» study of amorphous semiconductor crystallization by dynamic transmission electron microscopy". Thesis, McGill University, 2010. http://digitool.Library.McGill.CA:80/R/?func=dbin-jump-full&object_id=86999.
Pełny tekst źródłaCrystallization is initiated in the DTEM by a laser pulse that deposits sufficient heat into the system to activate the transition. A variable time delay after this initiation pulse, the sample is probed by a short photoelectron pulse in the TEM, generating a diffraction pattern or image with nanosecond time resolution. Thus, using the DTEM we can gain access to the kinetics of crystallization and details of the nucleation mechanism in situ through time-resolved diffraction patterns and images of the specimen.
In the crystallized silicon film, three distinct phenomena were observed as the incident fluence on the sample was increased: for low fluences, the film underwent solid state crystallization, for surface melting, large, radially oriented crystals were observed and when the entire film was melted, the silicon dewetted from the substrate and coalesced into crystalline droplets on the surface. Modelling of heat conduction in the laser-heated film supports this interpretation. Preliminary experiments were also carried out in amorphous germanium.
Le silicium amorphe est un matériau important en particulier, pour la fabrication de matériau polycristallin pour transistor couches minces. Il fournit également un système modèle idéal pour l'étude de la dynamique de cristallisation, et à cet effet, nous avons étudié la cristallisation des films couche mince en semiconducteurs amorphes, y compris le silicium et le germanium, dans le microscope Électronique en Transmission Dynamique (METD) à Lawrence Livermore National Laboratory.
La cristallisation est amorcée dans le METD par une Impulsion de laser qui dépose dans le système la chaleur suffisante pour activer la transition. Un délai variable après cette impulsion de déclenchement, l'échantillon est sondée par une impulsion de photoélectron dans le MET, produisant soit diffraction ou une image avec la résolution temporelle de nanoseconde. Ainsi, utilisant le METD nous pouvons accéder à la cinétique de la cristallisation et les détails du mécanisme de nucléation emphin situ par les diagrammes diffraction et les images de l'échantillion avec résolution temporelle sur une échelle de nanoseconde.
Dans la pélicule cristallisée de silicium, on a observé trois phénomènes distincts à mesure que le fluence incident sur l'échantillon était augmenté : pour les fluences réduits, la pellicule a subi la cristallisation l'état solide, pour la fonte à la surface, des grands cristaux radialement orientés ont été produits et quand la pellicule entier a été fondu, le silicium fondu a été fusionnés dans les gouttelettes cristallines sur la surface. La modélisation de la conduction de chaleur dans la pellicule chauffée par le laser soutient cette interprtation de l'évolution de la structure observée. Des exériences préliminaires ont été aussi effectuées en germanium amorphe.
Yu, Victor. "Optics and chemical vapour deposition of graphene monolayers on various substrates". Thesis, McGill University, 2011. http://digitool.Library.McGill.CA:80/R/?func=dbin-jump-full&object_id=97052.
Pełny tekst źródłaLes dispositifs à base de graphène sont généralement fabriqués par exfoliation sur des substrats de SiO2/Si, mais ces surfaces désordonnées peuvent dégrader les propriétés intrinsèques du graphène, comme la mobilité. Par conséquent, en vue d'optimiser la performance des dispositifs, nous avons étudié la possibilité de déposer le graphène sur des surfaces plus ordonnées, comme le GaAs, malgré la difficulté augmentée de l'identification du graphène exfolié sur ces surfaces. Nous démontrons que le contraste optique du graphène peut être grandement renforcé en augmentant l'angle d'incidence de la lumière sur les substrats (SiO2 et GaAs). Dans la seconde partie, nous allons au-delà de la production standard du graphène exfolié pour présenter une méthode de synthèse de graphène à grande échelle par dépôt chimique en phase vapeur. Nous modifions les paramètres de croissance pour mieux comprendre et optimiser les mécanismes de croissance et les techniques de transfert subséquent.
Feng, Zimin. "SymGF: a symbolic tool for quantum transport theory". Thesis, McGill University, 2012. http://digitool.Library.McGill.CA:80/R/?func=dbin-jump-full&object_id=107697.
Pełny tekst źródłaDans cette thèse, je présente le développement et lesapplications d'un outil de calcul symbolique connu sous le nom de "SymGF" (Symbolic Green's Functions) qui permet d'obtenir des expressionsanalytiques pour le transport quantique et les fonctions de Green de Keldyshpour les systèmes hors équilibre (FGHE). Le transport quantiquesurvient dans les systèmes ouverts constitués d'une régiondiffusante\ couplée à des électrodes externes. Lorsque lesinteractions électrons-électrons sont importantes dans cette région, la dérivation analytique des fonctions de Green peut devenirfastidieuse et propice aux erreurs. Par contre, à l'aide d'un ordinateurpersonnel, la méthode SymGF permet d'obtenir rapidement les formulesanalytiques nécessaires, en utilisant les équations du mouvement(EOM) du système, à un niveau de corrélation spécifiépar l'utilisateur. Les entrées nécessaires à la méthodeSymGF sont l'Hamiltonien en seconde quantification du système, lesrelations d'anti-commutation des opérateurs impliqués et les règles de coupure pour les fonctions de corrélation, ce qui déterminela précision du résultat final. Les sorties sont les expressionsanalytiques des propriétés de transport tels que le courant électrique et la conductance en fonction des différentes fonctions deGreen en plus de l'expression de ces dernières en fonction des fonctionsde Green du système non perturbé et sans interactions, pouvant être calculées directement.Pour les systèmes où les interactions électrons-électronspeuvent être négligés, le transport peut être étudiéplus facilement et la méthode SymGF n'est plus nécessaire, mêmesi elle reste toujours aussi juste. Par contre, pour les systèmes avecinteractions, elle permet de réduire drastiquement les difficultésmathématiques reliées à la dérivation analytique. Nousl'avons testée pour plusieurs situations impliquant des résonancesde Kondo, où les dérivations analytiques avaient déjà été effectuées, et les résultats furent reproduis parfaitement enune fraction du temps. Nous avons aussi appliqué cette méthode àde nouveaux problèmes très compliqués qui résistaienttoujours au traitement analytique; tels le transport quantique dans undouble point quantique et le transport dans un point quantique en parallèle avec une simple jonction tunnel. Finalement, en vue d'analyses futures,nous avons combiné la méthode SymGF avec un méthode desimulation numérique ab initio afin de calculer les caractéristiques du transport quantique impliquant des degrés de libertéatomiques.