Regensburg 2016 – wissenschaftliches Programm

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O: Fachverband Oberflächenphysik

O 41: Frontiers of Electronic Structure Theory: Focus on Topology and Transport I

O 41.7: Vortrag

Dienstag, 8. März 2016, 15:45–16:00, H24

Acoustic magnons in the long-wavelength limit: resolving the Goldstone violation in many-body perturbation theory — •Mathias C.T.D. Müller, Christoph Friedrich, and Stefan Blügel — Peter Grünberg Institut and Institute for Advanced Simulation, Forschungszentrum Jülich and JARA, 52425 Jülich, Germany

Ferromagnetic materials exhibit a spontaneously broken global rotation symmetry in spin space leading to the appearance of massless quasiparticles (zero gap) in the long-wavelength limit. These magnons are formed by the correlated motion of electron-hole pairs with opposite spins, which we describe from first principles employing the T-matrix formalism in the ladder approximation within the FLAPW method [1]. Due to approximations used in the numerical scheme, the acoustic magnon dispersion exhibits a small but finite gap at Γ. We analyze this violation of the Goldstone mode and present an approach that implements the magnetic susceptibility using a renormalized Green function instead of the Kohn-Sham (KS) one. This much more expensive approach shows substantial improvement of the Goldstone-mode condition. In addition, we discuss a possible correction scheme, that involves an adjustment of the KS exchange splitting, which is motivated by the spin-wave solution of the one-band Hubbard model. The new exchange splittings turn out to be closer to experiment. We present corrected magnon spectra for the elementary ferromagnets Fe, Co, and Ni.
E. Şaşioğlu et al., Phys. Rev. B 81, 054434 (2010); C. Friedrich et al. Top. Curr. Chem. 347, 259 (2014).