Dresden 2017 – wissenschaftliches Programm

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CPP: Fachverband Chemische Physik und Polymerphysik

CPP 21: Organic Electronics and Photovoltaics III: Mobile and Trapped Charges (joint session CPP/DS/HL, organized by CPP)

CPP 21.2: Vortrag

Dienstag, 21. März 2017, 09:45–10:00, ZEU 260

Spin dynamics and spin current in a high-mobility polymer — •Thorsten Arnold¹, Andreas Lücke², Uwe Gerstmann², Wolf Gero Schmidt², and Frank Ortmann¹ — ¹Institute for Materials Science, Center for Advancing Electronics Dresden and Dresden Center for Computational Materials Science, Technische Universität Dresden, 01069 Dresden, Germany — ²Lehrstuhl für Theoretische Materialphysik, Universität Paderborn, 33095 Paderborn, Germany

Organic semiconductors are characterized by small spin-orbit coupling, which leads to a relatively long spin relaxation time. This makes them particularly interesting materials for spintronics. We describe spin transport in the thiophene-based polymer PBTTT using a recently developed generalization of the Kubo formalism to spin and an appropriate definition of the spin current operator in tight-binding form to investigate the spin conductivity tensor in PBTTT. The transfer integrals of the Hamiltonian and spin current operator are extracted from the DFT band structure with and without spin-orbit coupling. The spin propagation and spin conductivity for different spin-orbit transfer integral models are compared and the energy dependence and relaxation are analyzed.