{"type":"book_chapter","publication":"First Principles Approaches to Spectroscopic Properties of Complex Materials","date_created":"2020-08-27T21:00:45Z","user_id":"458","status":"public","publisher":"Springer","ddc":["530"],"abstract":[{"text":"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.","lang":"eng"}],"page":"259-301","place":"Berlin, Heidelberg","editor":[{"full_name":"Di Valentin, Cristiana","first_name":"Cristiana","last_name":"Di Valentin"},{"first_name":"Silvana","last_name":"Botti","full_name":"Botti, Silvana"},{"full_name":"Cococcioni, Matteo","first_name":"Matteo","last_name":"Cococcioni"}],"_id":"18471","series_title":" Topics in Current Chemistry","title":"Spin excitations in solids from many-body perturbation theory","isi":"1","external_id":{"isi":["000356811000008"],"pmid":["24577607"]},"intvolume":"       347","department":[{"_id":"296"}],"doi":"10.1007/128_2013_518","publication_status":"published","pmid":"1","quality_controlled":"1","author":[{"first_name":"Christoph","last_name":"Friedrich","full_name":"Friedrich, Christoph"},{"last_name":"Şaşıoğlu","first_name":"Ersoy","full_name":"Şaşıoğlu, Ersoy"},{"first_name":"Mathias","last_name":"Müller","full_name":"Müller, Mathias"},{"first_name":"Arno","last_name":"Schindlmayr","full_name":"Schindlmayr, Arno","id":"458","orcid":"0000-0002-4855-071X"},{"first_name":"Stefan","last_name":"Blügel","full_name":"Blügel, Stefan"}],"citation":{"chicago":"Friedrich, Christoph, Ersoy Şaşıoğlu, Mathias Müller, Arno Schindlmayr, and Stefan Blügel. “Spin Excitations in Solids from Many-Body Perturbation Theory.” In <i>First Principles Approaches to Spectroscopic Properties of Complex Materials</i>, edited by Cristiana Di Valentin, Silvana Botti, and Matteo Cococcioni, 347:259–301.  Topics in Current Chemistry. Berlin, Heidelberg: Springer, 2014. <a href=\"https://doi.org/10.1007/128_2013_518\">https://doi.org/10.1007/128_2013_518</a>.","bibtex":"@inbook{Friedrich_Şaşıoğlu_Müller_Schindlmayr_Blügel_2014, place={Berlin, Heidelberg}, series={ Topics in Current Chemistry}, title={Spin excitations in solids from many-body perturbation theory}, volume={347}, DOI={<a href=\"https://doi.org/10.1007/128_2013_518\">10.1007/128_2013_518</a>}, booktitle={First Principles Approaches to Spectroscopic Properties of Complex Materials}, publisher={Springer}, author={Friedrich, Christoph and Şaşıoğlu, Ersoy and Müller, Mathias and Schindlmayr, Arno and Blügel, Stefan}, editor={Di Valentin, Cristiana and Botti, Silvana and Cococcioni, MatteoEditors}, year={2014}, pages={259–301}, collection={ Topics in Current Chemistry} }","short":"C. Friedrich, E. Şaşıoğlu, M. Müller, A. Schindlmayr, S. Blügel, in: C. Di Valentin, S. Botti, M. Cococcioni (Eds.), First Principles Approaches to Spectroscopic Properties of Complex Materials, Springer, Berlin, Heidelberg, 2014, pp. 259–301.","ama":"Friedrich C, Şaşıoğlu E, Müller M, Schindlmayr A, Blügel S. Spin excitations in solids from many-body perturbation theory. In: Di Valentin C, Botti S, Cococcioni M, eds. <i>First Principles Approaches to Spectroscopic Properties of Complex Materials</i>. Vol 347.  Topics in Current Chemistry. Berlin, Heidelberg: Springer; 2014:259-301. doi:<a href=\"https://doi.org/10.1007/128_2013_518\">10.1007/128_2013_518</a>","apa":"Friedrich, C., Şaşıoğlu, E., Müller, M., Schindlmayr, A., &#38; Blügel, S. (2014). Spin excitations in solids from many-body perturbation theory. In C. Di Valentin, S. Botti, &#38; M. Cococcioni (Eds.), <i>First Principles Approaches to Spectroscopic Properties of Complex Materials</i> (Vol. 347, pp. 259–301). Berlin, Heidelberg: Springer. <a href=\"https://doi.org/10.1007/128_2013_518\">https://doi.org/10.1007/128_2013_518</a>","ieee":"C. Friedrich, E. Şaşıoğlu, M. Müller, A. Schindlmayr, and S. Blügel, “Spin excitations in solids from many-body perturbation theory,” in <i>First Principles Approaches to Spectroscopic Properties of Complex Materials</i>, vol. 347, C. Di Valentin, S. Botti, and M. Cococcioni, Eds. Berlin, Heidelberg: Springer, 2014, pp. 259–301.","mla":"Friedrich, Christoph, et al. “Spin Excitations in Solids from Many-Body Perturbation Theory.” <i>First Principles Approaches to Spectroscopic Properties of Complex Materials</i>, edited by Cristiana Di Valentin et al., vol. 347, Springer, 2014, pp. 259–301, doi:<a href=\"https://doi.org/10.1007/128_2013_518\">10.1007/128_2013_518</a>."},"file_date_updated":"2020-08-30T14:48:45Z","language":[{"iso":"eng"}],"file":[{"title":"Spin excitations in solids from many-body perturbation theory","content_type":"application/pdf","file_id":"18584","description":"© 2014 Springer-Verlag, Berlin, Heidelberg","access_level":"closed","date_updated":"2020-08-30T14:48:45Z","file_name":"Friedrich2014_Chapter_SpinExcitationsInSolidsFromMan.pdf","file_size":1061365,"creator":"schindlm","relation":"main_file","date_created":"2020-08-28T15:19:57Z"}],"publication_identifier":{"eisbn":["978-3-642-55068-3"],"issn":["0340-1022"],"eissn":["1436-5049"],"isbn":["978-3-642-55067-6"]},"has_accepted_license":"1","volume":347,"year":"2014","date_updated":"2022-01-06T06:53:34Z"}