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Title: A shortcut to gradient-corrected magnon dispersion: exchange-only case

Journal Article · · European Physical Journal. B, Condensed Matter and Complex Systems
ORCiD logo [1];  [2];  [3]
  1. Max Planck Institute for the Structure and Dynamics of Matter, Hamburg (Germany); Max Planck Institute for the Structure and Dynamics of Matter, Luruper Chaussee 149, 22761 Hamburg, Germany
  2. Istituto Nanoscienze, Modena (Italy)
  3. Univ. of Missouri, Columbia, MO (United States)
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Ab initio calculations of the magnon dispersion in ferromagnetic materials typically rely on the adiabatic local density approximation (ALDA) in which the effective exchange-correlation field is everywhere parallel to the magnetization. These calculations, however, tend to overestimate the “magnon stiffness”, defined as the curvature of the magnon frequency vs. wave vector relation evaluated at zero wave vector. Here we suggest a simple procedure to improve the magnon dispersion by taking into account gradient corrections to the ALDA at the exchange-only level. We find that this gradient correction always reduces the magnon stiffness. The surprisingly large size of these corrections (~30%) greatly improves the agreement between the calculated and the observed magnon stiffness for cobalt and nickel, which are known to be overestimated within the ALDA.

Research Organization:
Univ. of Missouri System, Columbia, MO (United States)
Sponsoring Organization:
USDOE Office of Science (SC)
Grant/Contract Number:
FG02-05ER46203
OSTI ID:
1509907
Journal Information:
European Physical Journal. B, Condensed Matter and Complex Systems, Journal Name: European Physical Journal. B, Condensed Matter and Complex Systems Journal Issue: 8 Vol. 91; ISSN 1434-6028
Publisher:
SpringerCopyright Statement
Country of Publication:
United States
Language:
English

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Cited By (4)

Time-Dependent Magnons from First Principles journal January 2020
Spin dynamics from time-dependent density functional perturbation theory journal October 2018
Special issue in honor of Eberhard K.U. Gross for his 65th birthday journal November 2018
Spin dynamics from time-dependent density functional perturbation theory text January 2018

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71 CLASSICAL AND QUANTUM MECHANICS
GENERAL PHYSICS