HRD-9628526 Cal State LA University Auxiliary "Theoretical Studies of Nanowires Inside Carbon Nanotubes" We propose to carry out a research program to investigate the stability conditions of chains of different materials inside carbon nanotubes, of various chiralities and diameters, by employing first-principles, total-energy calculations within the local density functional approach. Chains of different types of materials will be considered, namely, transition metals, Sulfur, Selenium, and Tellurium, and lastly, polysulfur nitride. Some transition metals were shown experimentally to form continuous nanowires inside carbon nanotubes. S, Se, and Te have a propensity to form semiconducting chains, and the polymer (SN)x is known to be a superconductor below 0.3 K. The electronic energy bands of these composite systems, and the amount of charge transfer between the chains and carbon atoms, will be calculated. The resultant shifts in the vibrational mode frequencies of the carbon nanotubes will be estimated. Four students from minority groups underrepresented in Physics, specifically, African-American, Hispanics, and women, will be involved in this project. This will be greatly beneficial to their future education and career. ***
