Berlin 2015 – scientific programme

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TT: Fachverband Tiefe Temperaturen

TT 49: Frontiers of Electronic Structure Theory: Charge and Spin Dynamics (jointly with O, HL)

TT 49.6: Talk

Tuesday, March 17, 2015, 15:30–15:45, MA 004

Inclusion of thermal lattice vibrations and spin fluctuations within transport calculations — •Sergiy Mankovsky, Kristina Chadova, Diemo Ködderitzsch, Svitlana Polesya, and Hubert Ebert — Dept. Chemie/Physikalische Chemie, Universität München, Butenandtstr. 5-13, D-81377 München, Deutschland

We present an approach for the calculation of response quantities, e.g. Gilbert damping and electrical conductivity, accounting for temperature induced effects of lattice vibrations and spin fluctuations. The approach is based on the alloy analogy model with thermal vibrations and spin fluctuations modeled by random atomic displacements or magnetic moments deviations, respectively. We discuss various models to deal with spin fluctuations, determining their impact on the temperature dependent behaviour of conductivity and Gilbert damping parameter. We demonstrate the non-additivity of the separate contributions to the conductivity. The results of the calculations are compared to experimental data demonstrating a rather good agreement for the systems under consideration.