Browsing Dissertations & Theses by Author "Zhang, Qiming"
Now showing items 1-11 of 11
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A structural prediction of copper sulfide and study of its electronic properties and vacancy forming trend using density functional theory
Khatri, PrashantThe focus of this research is on the material challenges in photovoltaic. Copper Sulfide (Cu2 S) has been regarded as a potential solar absorber materials in photovoltaic industry. Despite its simple composition, it is a ... -
CARDIAC SINGLE PHOTON EMISSION COMPUTED TOMOGRAPHY (SPECT) SIMULATION USING THE XCAT PHANTOM AND THE SIMIND PACKAGE
Adebayo, Akolade (2022-08-17)Clinical data indicates a prevalence of transmural perfusion defects in the apical, mid, and basal segment of the left ventricle (LV) wall in patients with coronary artery diseases (CAD). To administer therapeutic regimes ... -
First Principles Computational Modeling Of The Surface Properties Of Uranium Dioxide
Hoover, Megan (Physics, 2014-07-14)The interaction of uranium dioxide (UO₂) with environmental elements occurs at its exposed surface and a fundamental understanding of this interaction process begins at the atomic scale. In this regard, atomic scale ... -
FIRST-PRINCIPLES STUDIES OF THE LOW DIMENSIONAL TRANSITION METAL OXIDES
An, Jiao; 0000-0002-7811-0870 (2019-08-08)Transition metal oxides have drawn lots of attention from experimental and theoretical research due to their unique physical and chemical properties. Among them, the semiconducting α-Fe2O3 and TiO2 has been investigated ... -
FIRST-PRINCIPLES STUDIES ON THE PIEZOELECTRICITY AND FERROELECTRICITY OF KNN RELATED MATERIALS
Peng, Yuting; 0000-0003-2360-5638 (2020-08-13)Nowadays, with the increasing environmental concerns, K1-xNaxNbO3 (KNN)-based materials have gained enormous interest and attention as one of the most promising lead-free piezoelectric materials because of their excellent ... -
A First-principles Study On Bulk CuO: Electronic Structures And Native Point Defects
Wu, Dangxin (Physics, 2007-08-23)In this thesis, we have performed a first-principles study on strongly correlated monoclinic cupric oxide (CuO) by using the LSDA+U method implemented in the PAW method. Based on the optimized structural parameters, which ... -
First-principles Study On Hard/soft SmCo5/Co(Fe) Nanocomposite Magnetic Materials
Wu, Dangxin (Physics, 2008-09-17)More than a decade ago, exchange-spring permanent magnets containing soft and hard magnetic phases have been proposed to enlarge maximum energy product values through exchange coupling between the magnetically soft and ... -
A First-principles Study On The Enhancement Of Beryllium Doping In Gallium Nitride
Wang, Xiao (Physics, 2007-08-23)The excellent physical and electrical properties of Gallium Nitride (GaN) have made it a good candidate in light-emitting diodes and UV detecting semiconductor materials. However, GaN's p-type doping has long been a ... -
LOW DIMENSIONAL SEMICONDUCTING NANOSTRUCTURES: STABILITY, TRENDS AND PROMISES
Wanaguru, Prabath (2016-05-10)Systematic studies of low dimensional semiconducting nanostructures have been performed. In particular, silicon-germanium (SiGe) armchair type nanotubes, and both zigzag and armchair type nanoribbons were used to represent ... -
MAGNETIC HARDENING IN THE TRANSITION METAL NANOPARTICLES AND NANOWIRES
Xing, Meiying; 0000-0002-1738-670X (2020-08-27)Permanent magnets are important materials widely used in advanced technologies including electric vehicles, windmills, memory devices, magnetic levitation transportation, and biomedical apparatus. Rare-earth-based compounds ... -
Sensitivity Study for Low Mass Dark Matter Search at DUNE
Brown, GarrettMany anomalies in the predictions of mass and gravity at the galactic scale have been attributed to an elusive form of matter we refer to as dark matter. The excessive rotational velocity of galaxies and gravitational ...