Understanding How Nanoscale Interfaces Modify Predicted Optical, Vibrational, and Electronic Properties

Laboratory Directed Research and Development

Jeff Urban, Adam Schwartzberg, Delia Milliron, Jeff Neaton, David Prendergast, Shenyuan Yang

Predicting and measuring the electronic energy levels, gaps, and alignments in nanoscale systems as done for bulk materials, is currently impossible. Moreover, remarkable modifications to bulk optical, vibrational, and structural properties have been reported, however, predictive models and a true physical understanding of these phenomena remain elusive. We are currently investigating novel nanomaterials that address major scientific questions such as: What physics controls electronic level alignment at nanoscale interfaces? How are vibrational states modified by interface termination? Do the wavelength-dependent refractive index numbers still remain valid for subwavelength structures?