First-Principles Theory for Understanding Optical Properties of Materials
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Abstract
The advancement of next-generation optoelectronic and photonic devices relies on the discovery and optimization of new classes of materials. While experimental exploration remains vital, it often struggles to isolate the intricate quantum mechanical origins of complex optical phenomena. First-principles computational techniques, based on the laws of quantum mechanics, provide atomic-scale insights into fundamental light-matter interactions. In this presentation, I will highlight our recent studies of the complex optical response in low-dimensional semiconductors using state-of-the-art computational methods such as density functional theory and many-body perturbation theory. In particular, I will present the role of electron-phonon interactions and spin fluctuations on the dielectric functions, absorption spectra, and excitonic properties of select 2D and layered materials, highlighting the underlying physical mechanisms. Ultimately, this approach bridges the gap between microscopic quantum physics and macroscopic optical behavior, paving the way for the rational, predictive design of future optical devices.
Speakers Bio
Dr. Sahar Sharifzadeh is an Associate Professor at Boston University. She obtained her PhD from Princeton University, working under the guidance of Prof. Emily Carter, and subsequently joined the Molecular Foundry at Lawrence Berkeley National Laboratory as a postdoctoral fellow and project scientist in the group of Dr. Jeffrey Neaton. She joined Boston University in 2014 as an Assistant Professor. Her research focuses on first-principles computational modelling of materials. Prof. Sharifzadeh serves as chair-elect within the Division of Computational Physics (DCOMP) of the American Physical Society (APS) and Councilor of the Physical Chemistry Division of the American Chemical Society (ACS).
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