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Wednesday, September 07, 2016
10:00 AM - 11:00 AM
CNLS Conference Room (TA-3, Bldg 1690)

Seminar

Understanding Hybrid Organic/Inorganic Structures and Materials from First Principles

Leeor Kronik
Department of Materials and Interfaces, Weizmann Institute of Science, Rehovoth 76100, Israel

Organic/inorganic structures and materials have attracted much interest recently from both the basic science and the applied science points of view. Technologically, their understanding is essential to - at least - modern approaches in electronics, optoelectronics, and photovoltaics. Fundamentally, they often force us to bridge two different “world views” – that of molecular orbital theory, which underlies much of organic chemistry, and that of delocalized electron waves, which underlies much of solid-state physics. Specifically, one often encounters “collective effects”, i.e., phenomena that the individual components comprising the structure or material do not exhibit. Here, I will review our recent progress in understanding important classes of such collective behavior from first principles. Specifically, I will address unique electronic and magnetic properties at organic/inorganic junctions and structural and electronic effects at hybrid organic/inorganic perovskites. I will focus on analysis and/or prediction of specific experiments, with an emphasis on the “fingerprints” that collective effects leave in experimental data. If you would like to meet with Prof. Kronik, please contact Sergei Tretiak (serg@lanl.gov)

Host: Sergei Tretiak