001     818076
005     20230426083136.0
024 7 _ |a 10.1103/PhysRevB.94.064433
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024 7 _ |a 0163-1829
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024 7 _ |a 0556-2805
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024 7 _ |a 1094-1622
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024 7 _ |a 2469-9950
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037 _ _ |a FZJ-2016-04610
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100 1 _ |a Müller, Mathias Christian Thomas David
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245 _ _ |a Acoustic magnons in the long-wavelength limit: Investigating the Goldstone violation in many-body perturbation theory
260 _ _ |a Woodbury, NY
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520 _ _ |a Collective spin excitations in magnetic materials arise from the correlated motion of electron-hole pairs with opposite spins. The pair propagation is described by the transverse magnetic susceptibility, which we calculate within many-body perturbation theory from first principles employing the full-potential linearized augmented-plane-wave formalism. Ferromagnetic materials exhibit a spontaneously broken global rotation symmetry in spin space leading to the appearance of acoustic magnons (zero gap) in the long-wavelength limit. However, 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 one. This much more expensive approach shows substantial improvement of the Goldstone-mode condition. In addition, we discuss a possible correction scheme, which involves an adjustment of the Kohn-Sham 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.
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536 _ _ |a 143 - Controlling Configuration-Based Phenomena (POF3-143)
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542 _ _ |i 2016-08-30
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700 1 _ |a Friedrich, Christoph
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700 1 _ |a Blügel, Stefan
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773 _ _ |a 10.1103/PhysRevB.94.064433
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