Proceedings of MATSUS Spring 2025 Conference (MATSUSSpring25)
DOI: https://doi.org/10.29363/nanoge.matsusspring.2025.544
Publication date: 16th December 2024
Chirality, the property of objects being mirror images but non-superimposable, is a fundamental characteristic found in diverse systems, from DNA helices to subatomic particles. When chiral systems interact with electron spin, they exhibit Chiral-Induced Spin Selectivity (CISS), enabling chiral molecules to act as spin filters. This remarkable phenomenon has transformative implications for spintronics, drug design, and understanding the origin of biological chirality. By employing advanced semiconductors like perovskites, we explore CISS under controlled conditions. These chiral perovskites not only enhance the CISS effect but also display unique optical properties, such as the ability to absorb and emit circularly polarized light, unlocking exciting opportunities for technologies like spin LEDs and chiral detectors.
Despite progress, the underlying mechanisms of CISS remain poorly understood, as static helical models fail to align with experimental data. To address this, my team is developing a unified theoretical framework that captures the intricate quantum interactions in real materials. By integrating Density Functional Theory (DFT), Tight Binding (TB), and Machine Learning, we aim to model electronic, vibrational, and optical properties within a cohesive transport model. Early findings reveal that spin-phonon coupling plays a vital role in spin selectivity, highlighting the importance of dynamic quantum effects.
With support from a recently awarded ERC Consolidator Grant, we are expanding this framework to include new quantum interactions and transport calculations from both semiclassical and fully quantum perspectives. Once complete, this framework will bridge the gap between theory and experiment, offering powerful tools to advance our understanding of chirality and propel next-generation chiral technologies.
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