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| 001 | 156208 | ||
| 005 | 20210129214229.0 | ||
| 020 | _ | _ | |a 978-3-642-55067-6 (print) |
| 020 | _ | _ | |a 978-3-642-55068-3 (electronic) |
| 024 | 7 | _ | |a 10.1007/128_2013_518 |2 doi |
| 024 | 7 | _ | |a 1436-5049 |2 ISSN |
| 024 | 7 | _ | |a 0340-1022 |2 ISSN |
| 024 | 7 | _ | |a WOS:000356811000008 |2 WOS |
| 037 | _ | _ | |a FZJ-2014-05048 |
| 082 | _ | _ | |a 540 |
| 100 | 1 | _ | |a Friedrich, Christoph |0 P:(DE-Juel1)130644 |b 0 |e Corresponding Author |u fzj |
| 245 | _ | _ | |a Spin Excitations in Solids from Many-Body Perturbation Theory |
| 260 | _ | _ | |a Berlin, Heidelberg |c 2014 |b Springer Berlin Heidelberg |
| 295 | 1 | 0 | |a First Principles Approaches to Spectroscopic Properties of Complex Materials |
| 300 | _ | _ | |a 259 - 301 |
| 336 | 7 | _ | |a Contribution to a book |b contb |m contb |0 PUB:(DE-HGF)7 |s 1412234975_5599 |2 PUB:(DE-HGF) |
| 336 | 7 | _ | |a bookPart |2 DRIVER |
| 336 | 7 | _ | |a BOOK_CHAPTER |2 ORCID |
| 336 | 7 | _ | |a Book Section |0 7 |2 EndNote |
| 336 | 7 | _ | |a INBOOK |2 BibTeX |
| 336 | 7 | _ | |a Output Types/Book chapter |2 DataCite |
| 490 | 0 | _ | |a Topics in Current Chemistry |v 347 |
| 520 | _ | _ | |a Collective spin excitations form a fundamental class of excitations in magnetic materials. As their energy reaches down to only a few meV, they are present at all temperatures and substantially influence the properties of magnetic systems. To study the spin excitations in solids from first principles, we have developed a computational scheme based on many-body perturbation theory within the full-potential linearized augmented plane-wave (FLAPW) method. The main quantity of interest is the dynamical transverse spin susceptibility or magnetic response function, from which magnetic excitations, including single-particle spin-flip Stoner excitations and collective spin-wave modes as well as their lifetimes, can be obtained. In order to describe spin waves we include appropriate vertex corrections in the form of a multiple-scattering T matrix, which describes the coupling of electrons and holes with different spins. The electron–hole interaction incorporates the screening of the many-body system within the random-phase approximation. To reduce the numerical cost in evaluating the four-point T matrix, we exploit a transformation to maximally localized Wannier functions that takes advantage of the short spatial range of electronic correlation in the partially filled d or f orbitals of magnetic materials. The theory and the implementation are discussed in detail. In particular, we show how the magnetic response function can be evaluated for arbitrary k points. This enables the calculation of smooth dispersion curves, allowing one to study fine details in the k dependence of the spin-wave spectra. We also demonstrate how spatial and time-reversal symmetry can be exploited to accelerate substantially the computation of the four-point quantities. As an illustration, we present spin-wave spectra and dispersions for the elementary ferromagnet bcc Fe, B2-type tetragonal FeCo, and CrO2 calculated with our scheme. The results are in good agreement with available experimental data. |
| 536 | _ | _ | |a 422 - Spin-based and quantum information (POF2-422) |0 G:(DE-HGF)POF2-422 |c POF2-422 |f POF II |x 0 |
| 588 | _ | _ | |a Dataset connected to CrossRef Book, juser.fz-juelich.de |
| 700 | 1 | _ | |a Şaşıoğlu, Ersoy |0 P:(DE-Juel1)130937 |b 1 |u fzj |
| 700 | 1 | _ | |a Müller, Mathias Christian Thomas David |0 P:(DE-Juel1)130855 |b 2 |u fzj |
| 700 | 1 | _ | |a Schindlmayr, Arno |0 P:(DE-Juel1)130940 |b 3 |
| 700 | 1 | _ | |a Blügel, Stefan |0 P:(DE-Juel1)130548 |b 4 |u fzj |
| 773 | _ | _ | |a 10.1007/128_2013_518 |y 2014 |
| 856 | 4 | _ | |u https://juser.fz-juelich.de/record/156208/files/FZJ-2014-05048.pdf |y Restricted |
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| 910 | 1 | _ | |a Forschungszentrum Jülich GmbH |0 I:(DE-588b)5008462-8 |k FZJ |b 0 |6 P:(DE-Juel1)130644 |
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| 913 | 2 | _ | |a DE-HGF |b POF III |l Forschungsbereich Energie |1 G:(DE-HGF)POF3-140 |0 G:(DE-HGF)POF3-143 |2 G:(DE-HGF)POF3-100 |v Future Information Technology - Fundamentals, Novel Concepts and Energy Efficiency (FIT) |x 0 |
| 913 | 1 | _ | |a DE-HGF |b Schlüsseltechnologien |1 G:(DE-HGF)POF2-420 |0 G:(DE-HGF)POF2-422 |2 G:(DE-HGF)POF2-400 |v Spin-based and quantum information |x 0 |4 G:(DE-HGF)POF |3 G:(DE-HGF)POF2 |l Grundlagen zukünftiger Informationstechnologien |
| 914 | 1 | _ | |y 2014 |
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| 920 | 1 | _ | |0 I:(DE-Juel1)IAS-1-20090406 |k IAS-1 |l Quanten-Theorie der Materialien |x 0 |
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