This thesis presents the results of quantum-mechanical first principles calculations
of optical, electronic and mechanical properties of organic molecules and solids, which have
diverse potential applications such as photovoltaics, flexible electronics, and mechanical
catalysts with applications in force sensors and self-healing materials.
The electronic and optoelectronic properties of organic thin...
This thesis presents the results from Monte Carlo calculations on classical vector spins in
face-centered-cubic (FCC) lattices. The goal of the study was to understand the effect of
interlayer coupling, dilution of magnetic atoms in the lattice, and symmetry-changing
strain.
Experimental work by T. M. Giebultowicz et al. and J....
Stream restoration efforts have increasingly started to focus on management actions that restore ecological function rather than focusing on species-specific habitat needs. Restoration practitioners in the Pacific Northwest have implemented numerous large-scale floodplain restoration projects to restore stream function at the valley scale. Some of these projects attempt to restore...
Shrub-steppe ecosystems of western North America provide habitat for many wildlife species, are important components of public and private rangelands, and offer recreational opportunities for millions of people. They are some of the most vulnerable ecosystems in the United States and have been altered by human activities such as livestock...
Crystals are solid materials with periodic and symmetric molecular patterns. The structure of a crystalline solid determines its properties, making it essential to study its structures. From the principle of minimum energy, a crystal will choose a structure with the lowest free energy F = U – TS. At low...
Mixed anion compounds that form ZrCuSiAs-type crystal structures exhibit remarkable properties such as superconductivity at low temperatures,
hole conduction with optical transparency in the visible region, and exciton absorption at room temperature. In this thesis, properties of a selected group of materials out of the very large set of mixed...
The behavior of small atomics cluster largely depends on their geometry,
due to the high ratio of surface atoms to interior atoms. One interesting aspect
to study clusters centers around characterizing the transition behavior between
nite and bulk materials, where the ratio of surface atoms to interior atoms is
very...
The ability to focus light through strongly scattering materials is opening up exciting new avenues in many fields, such as optics, computer vision, biology, and medicine, which utilize light delivery and imaging techniques. Efficient, high resolution wavefront shaping and optimization methods are crucial to enabling this new capability.
In this...