Regensburg 2019 – wissenschaftliches Programm
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HL: Fachverband Halbleiterphysik
HL 32: Spintronics
HL 32.1: Vortrag
Mittwoch, 3. April 2019, 15:00–15:15, H33
Computation of the spin-Hall conductivity from first principles using maximally-localized Wannier functions — •Ji Hoon Ryoo1, Cheol-Hwan Park1, and Ivo Souza2 — 1Department of Physics, Seoul National University, Seoul, Korea — 2Centro de Física de Materiales, Universidad del País Vasco, San Sebastián, Spain
Being an essential element of spintronics, the spin Hall conductivities of dozens of materials ranging from simple metals and semiconductors to more complicated materials such as metallic alloys and topological insulators have been measured experimentally and calculated theoretically during the last decade. In this regard, it is important to compute spin-Hall conductivities of a material accurately from first principles. Often, however, the high cost for computing several matrix elements of spin-current and velocity operators between Bloch states has been considered as a bottleneck that significantly slows down the calculation. We discuss a computationally efficient method of computing spin-Hall conductivities from first principles through an interpolation of matrix elements and energy eigenvalues using maximally-localized Wannier functions and its application for computing the spin-Hall conductivities of platinum and gallium arsenide.