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physics.comp-ph2019
First Principles Modeling of Topological Insulators: Structural Optimization and Exchange Correlation Functionals
Thomas K. Reid, S. Pamir Alpay, Alexander V. Balatsky +1
Topological insulators (TIs) are materials that are insulating in the bulk but have zero band gap surface states with linear dispersion and are protected by time reversal symmetry.…
cond-mat.mtrl-sci2019
Electronic and Optical Properties of Zinc based Hybrid Organic-Inorganic Compounds for Ultraviolet Applications
Trilochan Sahoo, Uchenna A. Anene, S. Pamir Alpay +1
Hybrid organic-inorganic (HOI) compounds are excellent candidates for a wide spectrum of applications in diverse fields such as optics, electronics, energy and biotechnology. Their…