Global ETD Search
Search theses and dissertations gathered from participating repositories worldwide. Every result links back to the library that holds it. No account is needed.
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Showing 1 to 20 of 38 for “"Solid state systems"”.
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Second Order Interactions in Solid State Systems
Non-covalent interatomic interactions, particularly hydrogen bonds, have been studied through systematic analysis of published crystallographic data, and through the determination of novel crystal structures. Chapters 1-3 give relevant background on crystal structure analysis and describe the …
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Expanding the Toolkit for Optical Rotation Calculations: Development of Interpretive Models and Extension to Solid State Systems
… long standing approach forcharacterizing chiral systems. The ability to predict optical rotation theoretically without resorting to expensive \textit{ab initio} simulations would greatly aid in absolute configuration assignment of chiral species and would help develop a more chemically intuitive …
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Modelling of Berry phase and Fermi-level topologies for emergent quantum phenomena prediction in selected solid state systems
Topological materials host electronic states that remain robust against perturbations and offer routes to novel quantum functions. This thesis investigates three representative compounds - SrSi2, CoSi, and NbP - to reveal how external stimuli, namely tensile strain and electric fields, tune their …
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Dynamical effects in crystalline solid state systems: theory of temperature dependent optical response of bulk gaAs and vibrational modification of C(111) 2 x 1 Surface in Comparison to Experiment
This thesis presents a new theoretical formalism which incorporates dynamical effects in atomistic electronic structure and related calculations. This research, fundamental by nature, brings about a deeper understanding of the dynamical processes in a range of materials. This establishes …
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Ab initio Hartree-Fock and many body perturbation theory calculation of the energies of the excited states of some materials
… in the study of the energies of the excited states of atomic, molecular and solid state systems is investigated. A perturbation method for finding relativistic corrections to the energy is also investigated. Results are presented which indicate that many body perturbation theory substantially …
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Optical Pumping of Rubidium Spin in a Solid Argon Matrix
… have trapped rubidium atoms inside a cryogenic solid argon crystal of thickness 200 µm. This weakly-interacting solid offers the experimental simplicity and high densities of solid-state systems, while allowing the implanted atoms to retain many of the properties of their gas-phase counterparts. …
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Structural Dynamics of Amorphous Solid-State Macromolecular Materials at Terahertz Frequencies
Structural Dynamics of Amorphous Solid-State Macromolecular Materials at Terahertz Frequencies Talia Amira Shmool The aim of this thesis is to investigate the ability of terahertz time-domain spectroscopy (THz-TDS) to study complex amorphous solid-state systems. THz-TDS is a vibrational optical …
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Classical and quantum control in nanosystems
… both quantum and classical degrees of freedom in solid-state systems. To support this claim, I present a series of theoretical discussions that demonstrate how static and/or time-varying fields can be used to control spin degrees of freedom in GaAs quantum dots. This work is motivated by recent …
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Quantum dynamics in condensed phases : charge carrier mobility, decoherence, and excitation energy transfer
… thesis, we develop analytical models for quantum systems and perform theoretical investigations on several dynamical processes in condensed phases. First, we study charge-carrier mobilities in organic molecular crystals, and develop a microscopic theory that describes both the coherent band-like …
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Electronic structure and transport in molecular and nanoscale electronics
… nature of electrons and dimensionality of systems play the critical roles in their electronic, magnetic and optical properties. Our first approach is based on Green's function method with ab initio quasiatomic orbitals within Landauer formalism. To efficiently and accurately apply Green's …
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Strong-field physics with ultrafast optical resonators
… from modern high-intensity, femtosecond laser systems can produce electrical forces that rival the binding forces in atomic and solid-state systems. In this strong-field regime, conventional non-linear optics gives way to novel phenomena such as the production of attosecond bursts of electrons …
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Chemical and physical characterization of clay bodies
… was used for the identification of fluorine in solid-state systems. The exchange of various cations into Wyoming Bentonite clay by microwave methodology did not show the appearance of five co-ordinate aluminium when examined by 27Al MAS NMR. The appearance of Qo silicate was linked to an …
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New perspectives on ab initio calculation and physical insights gained through linkage to continuum theories
… of the single-particle density matrix in solid-state systems. This locality reflects the localization of electronic states and is essential for real-space and O(N) methods. We derive new behavior for this spatial range contrary to previous proposals, and we verify our findings in model …
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Optimal control in an open quantum system : selecting DNP pathways in an electron-nuclear system
… optimize control sequences for spin-based systems. Previous control pulse finding efforts have primarily optimized pulses to a desired unitary control. Non-unitary dynamics are unavoidable in quantum systems, and, to improve current control techniques, interactions with the environment and …
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Self-referenced 1.5 [mu]m fiber frequency combs at GHz repetition rates
… comb, particularly frequency combs deriving from solid-state and fiber architectures, have enabled a host of important new applications to emerge - applications which include optical arbitrary waveform generation (OAWG), high-speed photonic analog-to-digital conversion (EPIC), space exploration …
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Exploring Matter-wave Dynamics with a Bose-Einstein Condensate
… that traditionally arise in vastly different systems, yet are difficult to access. We study the scattering of a particle from a repulsive potential barrier in the non-asymptotic regime, for which the collision dynamics are on-going. Using a Bose-Einstein condensate interacting with a sharp …
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Non-classical methods for the simulation and design of quantum materials.
… phenomena, such as magnetism, topological states, and superconductivity. Classical methods often struggle to accurately model these systems, especially when quantum effects such as strong electron correlations or entanglement are involved. This has manifested as a significant research gap …
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Visible Emitters in Hexagonal Boron Nitride as an Optically Addressable Spin Qubit Platform
Optically active spins in solid-state systems serve as excellent spin-photon interfaces, a crucial building block for quantum technologies such as information networks and sensing. This thesis presents a new spin qubit platform: visible emitters embedded in epitaxially grown hexagonal boron nitride …
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Mechanisms of Metal Penetration in Solid Electrolytes
… is the mechanism by which metals infiltrate solid electrolytes during electrodeposition. A deep understanding of this phenomenon in Li+-conducting solid electrolytes could determine whether these materials can enable fast-charging (> 3 mA cm⁻²) solid state batteries that are safer and more …
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Investigating anharmonic effects in condensed matter systems
… anharmonic nuclear motion on the properties of solid materials from first principles. Such anharmonic effects can be significant in many cases. A vibrational self-consistent field (VSCF) method is used as the basis for these calculations, which is then improved and applied to a variety of solid …
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