Condensed Matter Physics Commons^™

Applied Symmetry For Crystal Structure Prediction, Scott William Fredericks

UNLV Theses, Dissertations, Professional Papers, and Capstones

This thesis presents an original open-source Python package called PyXtal (pronounced "pi-crystal") that generates random symmetric crystal structures for use in crystal structure prediction (CSP). The primary advantage of PyXtal over existing structure generation tools is its unique symmetrization method. For molecular structures, PyXtal uses an original algorithm to determine the compatibility of molecular point group symmetry with Wyckoff site symmetry. This allows the molecules in generated structures to occupy special Wyckoff positions without breaking the structure's symmetry. This is a new feature which increases the space of search-able structures and in turn improves CSP performance.

It is shown that …

Toward Devices For Exploring Pt-Symmetry In Electronic Transport Of Graphene, Michael Carovillano

Senior Honors Papers / Undergraduate Theses

Parity-time symmetry, or PT -symmetry is the principle that in quantum mechanics a non- Hermitian Hamiltonian is capable of returning real eigenstates and real spectra.Recent research has demonstrated real world observation of PT -symmetry in electronics and optics. We aim to expand the regime of observed PT -symmetry through measurement of the electronic transport of graphene devices. Drawing from analogous experiments, we plan to use balanced ohmic resistance acting as both loss and relative gain to induce the required unbroken PT -symmetry regime. This paper analyzes techniques used in fabrication of such devices as well as the basis of the …