000008915 001__ 8915
000008915 005__ 20230426083016.0
000008915 0247_ $$2DOI$$a10.1103/PhysRevB.81.054434
000008915 0247_ $$2WOS$$aWOS:000274998000084
000008915 0247_ $$2Handle$$a2128/10999
000008915 037__ $$aPreJuSER-8915
000008915 041__ $$aeng
000008915 082__ $$a530
000008915 084__ $$2WoS$$aPhysics, Condensed Matter
000008915 1001_ $$0P:(DE-Juel1)VDB63896$$aSasioglu, E.$$b0$$uFZJ
000008915 245__ $$aWannier-function approach to spin excitations in solids
000008915 260__ $$aCollege Park, Md.$$bAPS$$c2010
000008915 300__ $$a054434
000008915 3367_ $$0PUB:(DE-HGF)16$$2PUB:(DE-HGF)$$aJournal Article
000008915 3367_ $$2DataCite$$aOutput Types/Journal article
000008915 3367_ $$00$$2EndNote$$aJournal Article
000008915 3367_ $$2BibTeX$$aARTICLE
000008915 3367_ $$2ORCID$$aJOURNAL_ARTICLE
000008915 3367_ $$2DRIVER$$aarticle
000008915 440_0 $$04919$$aPhysical Review B$$v81$$x1098-0121$$y5
000008915 500__ $$aFruitful discussions with Y. Mokrousov, G. Bihlmayer, M. Niesert, A. Gierlich, T. Miyake, and F. Aryasetiawan are gratefully acknowledged. This work was funded in part by the EU through the Nanoquanta Network of Excellence (Grant No. NMP4-CT-2004-500198), the European Theoretical Spectroscopy Facility e-I3 (Grant No. INFRA-2007-211956), and by the Deutsche Forschungsgemeinschaft through the Priority Programme 1145.
000008915 520__ $$aWe present a computational scheme to study spin excitations in magnetic materials from first principles. The central quantity is the transverse spin susceptibility, from which the complete excitation spectrum, including single-particle spin-flip Stoner excitations and collective spin-wave modes, can be obtained. The susceptibility is derived from many-body perturbation theory and includes dynamic correlation through a summation over ladder diagrams that describe the coupling of electrons and holes with opposite spins. In contrast to earlier studies, we do not use a model potential with adjustable parameters for the electron-hole interaction but employ the random-phase approximation. To reduce the numerical cost for the calculation of the four-point scattering matrix we perform a projection onto maximally localized Wannier functions, which allows us to truncate the matrix efficiently by exploiting the short spatial range of electronic correlation in the partially filled d or f orbitals. Our implementation is based on the full-potential linearized augmented-plane-wave method. Starting from a ground-state calculation within the local-spin-density approximation (LSDA), we first analyze the matrix elements of the screened Coulomb potential in the Wannier basis for the 3d transition-metal series. In particular, we discuss the differences between a constrained nonmagnetic and a proper spin-polarized treatment for the ferromagnets Fe, Co, and Ni. The spectrum of single-particle and collective spin excitations in fcc Ni is then studied in detail. The calculated spin-wave dispersion is in good overall agreement with experimental data and contains both an acoustic and an optical branch for intermediate wave vectors along the [1 0 0] direction. In addition, we find evidence for a similar double-peak structure in the spectral function along the [1 1 1] direction. To investigate the influence of static correlation we finally consider LSDA+U as an alternative starting point and show that, together with an improved description of the Fermi surface, it yields a more accurate quantitative value for the spin-wave stiffness constant, which is overestimated in the LSDA.
000008915 536__ $$0G:(DE-Juel1)FUEK412$$2G:(DE-HGF)$$aGrundlagen für zukünftige Informationstechnologien$$cP42$$x0
000008915 536__ $$0G:(EU-Grant)211956$$aETSF - European Theoretical Spectroscopy Facility I3 (211956)$$c211956$$fFP7-INFRASTRUCTURES-2007-1$$x1
000008915 542__ $$2Crossref$$i2010-02-22$$uhttp://link.aps.org/licenses/aps-default-license
000008915 588__ $$aDataset connected to Web of Science
000008915 650_7 $$2WoSType$$aJ
000008915 7001_ $$0P:(DE-HGF)0$$aSchindlmayr, A.$$b1
000008915 7001_ $$0P:(DE-Juel1)VDB418$$aFriedrich, C.$$b2$$uFZJ
000008915 7001_ $$0P:(DE-Juel1)130643$$aFreimuth, F.$$b3$$uFZJ
000008915 7001_ $$0P:(DE-Juel1)130548$$aBlügel, S.$$b4$$uFZJ
000008915 77318 $$2Crossref$$3journal-article$$a10.1103/physrevb.81.054434$$bAmerican Physical Society (APS)$$d2010-02-22$$n5$$p054434$$tPhysical Review B$$v81$$x1098-0121$$y2010
000008915 773__ $$0PERI:(DE-600)2844160-6$$a10.1103/PhysRevB.81.054434$$gVol. 81, p. 054434$$n5$$p054434$$q81<054434$$tPhysical review / B$$v81$$x1098-0121$$y2010
000008915 8567_ $$uhttp://dx.doi.org/10.1103/PhysRevB.81.054434
000008915 8564_ $$uhttps://juser.fz-juelich.de/record/8915/files/PhysRevB.81.054434.pdf$$yOpenAccess
000008915 8564_ $$uhttps://juser.fz-juelich.de/record/8915/files/PhysRevB.81.054434.gif?subformat=icon$$xicon$$yOpenAccess
000008915 8564_ $$uhttps://juser.fz-juelich.de/record/8915/files/PhysRevB.81.054434.jpg?subformat=icon-180$$xicon-180$$yOpenAccess
000008915 8564_ $$uhttps://juser.fz-juelich.de/record/8915/files/PhysRevB.81.054434.jpg?subformat=icon-700$$xicon-700$$yOpenAccess
000008915 8564_ $$uhttps://juser.fz-juelich.de/record/8915/files/PhysRevB.81.054434.pdf?subformat=pdfa$$xpdfa$$yOpenAccess
000008915 909CO $$ooai:juser.fz-juelich.de:8915$$pdnbdelivery$$pec_fundedresources$$pVDB$$pdriver$$popen_access$$popenaire
000008915 9141_ $$y2010
000008915 915__ $$0LIC:(DE-HGF)APS-112012$$2HGFVOC$$aAmerican Physical Society Transfer of Copyright Agreement
000008915 915__ $$0StatID:(DE-HGF)0510$$2StatID$$aOpenAccess
000008915 915__ $$0StatID:(DE-HGF)0010$$aJCR/ISI refereed
000008915 9131_ $$0G:(DE-Juel1)FUEK412$$aDE-HGF$$bSchlüsseltechnologien$$kP42$$lGrundlagen für zukünftige Informationstechnologien (FIT)$$vGrundlagen für zukünftige Informationstechnologien$$x0
000008915 9201_ $$0I:(DE-Juel1)VDB781$$d31.12.2010$$gIFF$$kIFF-1$$lQuanten-Theorie der Materialien$$x0
000008915 9201_ $$0I:(DE-Juel1)IAS-1-20090406$$gIAS$$kIAS-1$$lQuanten-Theorie der Materialien$$x1$$zIFF-1
000008915 9201_ $$0I:(DE-82)080009_20140620$$gJARA$$kJARA-FIT$$lJülich-Aachen Research Alliance - Fundamentals of Future Information Technology$$x2
000008915 9201_ $$0I:(DE-Juel1)VDB1346$$gJARA$$kJARA-HPC$$lJülich Aachen Research Alliance - High-Performance Computing$$x3
000008915 970__ $$aVDB:(DE-Juel1)118206
000008915 9801_ $$aFullTexts
000008915 980__ $$aVDB
000008915 980__ $$aConvertedRecord
000008915 980__ $$ajournal
000008915 980__ $$aI:(DE-Juel1)PGI-1-20110106
000008915 980__ $$aI:(DE-Juel1)IAS-1-20090406
000008915 980__ $$aI:(DE-82)080009_20140620
000008915 980__ $$aI:(DE-82)080012_20140620
000008915 980__ $$aUNRESTRICTED
000008915 981__ $$aI:(DE-Juel1)PGI-1-20110106
000008915 981__ $$aI:(DE-Juel1)IAS-1-20090406
000008915 981__ $$aI:(DE-Juel1)VDB881
000008915 981__ $$aI:(DE-Juel1)VDB1346
000008915 999C5 $$1T. Moriya$$2Crossref$$9-- missing cx lookup --$$a10.1007/978-3-642-82499-9$$y1985
000008915 999C5 $$2Crossref$$9-- missing cx lookup --$$a10.1007/s100510050684
000008915 999C5 $$2Crossref$$9-- missing cx lookup --$$a10.1103/PhysRevLett.17.1133
000008915 999C5 $$2Crossref$$9-- missing cx lookup --$$a10.1103/PhysRevLett.17.1307
000008915 999C5 $$2Crossref$$9-- missing cx lookup --$$a10.1103/PhysRevLett.102.187204
000008915 999C5 $$2Crossref$$9-- missing cx lookup --$$a10.1103/PhysRevB.59.13840
000008915 999C5 $$2Crossref$$9-- missing cx lookup --$$a10.1103/PhysRevB.62.5589
000008915 999C5 $$2Crossref$$9-- missing cx lookup --$$a10.1103/PhysRevLett.93.096401
000008915 999C5 $$2Crossref$$9-- missing cx lookup --$$a10.1103/PhysRevB.72.155109
000008915 999C5 $$2Crossref$$9-- missing cx lookup --$$a10.1103/PhysRevB.73.125105
000008915 999C5 $$2Crossref$$9-- missing cx lookup --$$a10.1103/PhysRevB.78.085113
000008915 999C5 $$2Crossref$$9-- missing cx lookup --$$a10.1103/RevModPhys.66.763
000008915 999C5 $$2Crossref$$9-- missing cx lookup --$$a10.1016/0370-1573(94)00086-I
000008915 999C5 $$2Crossref$$9-- missing cx lookup --$$a10.1038/43843
000008915 999C5 $$2Crossref$$9-- missing cx lookup --$$a10.1038/nphys1180
000008915 999C5 $$2Crossref$$9-- missing cx lookup --$$a10.1103/PhysRevLett.86.728
000008915 999C5 $$2Crossref$$9-- missing cx lookup --$$a10.1088/0034-4885/61/7/001
000008915 999C5 $$1J. Kübler$$2Crossref$$oJ. Kübler Theory of Itinerant Electron Magnetism 2000$$tTheory of Itinerant Electron Magnetism$$y2000
000008915 999C5 $$2Crossref$$9-- missing cx lookup --$$a10.1080/000187398243573
000008915 999C5 $$2Crossref$$9-- missing cx lookup --$$a10.1103/PhysRevLett.76.4420
000008915 999C5 $$2Crossref$$9-- missing cx lookup --$$a10.1103/PhysRevB.55.14975
000008915 999C5 $$2Crossref$$9-- missing cx lookup --$$a10.1103/PhysRevB.58.293
000008915 999C5 $$2Crossref$$9-- missing cx lookup --$$a10.1063/1.370495
000008915 999C5 $$2Crossref$$9-- missing cx lookup --$$a10.1103/PhysRevB.63.100401
000008915 999C5 $$2Crossref$$9-- missing cx lookup --$$a10.1103/PhysRevB.64.174402
000008915 999C5 $$2Crossref$$9-- missing cx lookup --$$a10.1103/PhysRevB.7.1108
000008915 999C5 $$2Crossref$$9-- missing cx lookup --$$a10.1103/PhysRevB.21.4118
000008915 999C5 $$2Crossref$$9-- missing cx lookup --$$a10.1103/PhysRevLett.54.718
000008915 999C5 $$2Crossref$$9-- missing cx lookup --$$a10.1103/PhysRevLett.55.2814
000008915 999C5 $$2Crossref$$9-- missing cx lookup --$$a10.1103/PhysRevLett.67.2561
000008915 999C5 $$2Crossref$$9-- missing cx lookup --$$a10.1016/S0304-8853(98)00088-2
000008915 999C5 $$2Crossref$$9-- missing cx lookup --$$a10.1103/PhysRevB.66.174417
000008915 999C5 $$2Crossref$$9-- missing cx lookup --$$a10.1088/0953-8984/15/5/305
000008915 999C5 $$2Crossref$$9-- missing cx lookup --$$a10.1103/PhysRevB.68.224435
000008915 999C5 $$2Crossref$$9-- missing cx lookup --$$a10.1103/PhysRevB.69.064413
000008915 999C5 $$2Crossref$$9-- missing cx lookup --$$a10.1103/PhysRevB.70.054406
000008915 999C5 $$2Crossref$$9-- missing cx lookup --$$a10.1103/PhysRevB.74.214403
000008915 999C5 $$2Crossref$$9-- missing cx lookup --$$a10.1103/PhysRevB.78.054439
000008915 999C5 $$2Crossref$$9-- missing cx lookup --$$a10.1103/PhysRevLett.81.2570
000008915 999C5 $$2Crossref$$9-- missing cx lookup --$$a10.1103/PhysRevLett.102.247206
000008915 999C5 $$2Crossref$$9-- missing cx lookup --$$a10.1103/PhysRevB.62.3006
000008915 999C5 $$2Crossref$$9-- missing cx lookup --$$a10.1088/0953-8984/12/34/308
000008915 999C5 $$2Crossref$$9-- missing cx lookup --$$a10.1103/PhysRevB.60.7419
000008915 999C5 $$1G. Strinati$$2Crossref$$9-- missing cx lookup --$$a10.1007/BF02725962$$p1 -$$tRiv. Nuovo Cimento$$v11$$y1988
000008915 999C5 $$2Crossref$$9-- missing cx lookup --$$a10.1103/PhysRevB.56.12847
000008915 999C5 $$2Crossref$$9-- missing cx lookup --$$a10.1103/PhysRevB.65.035109
000008915 999C5 $$2Crossref$$9-- missing cx lookup --$$a10.1103/PhysRevB.62.R16219
000008915 999C5 $$2Crossref$$9-- missing cx lookup --$$a10.1007/BF02712783
000008915 999C5 $$2Crossref$$9-- missing cx lookup --$$a10.1103/PhysRevB.61.10040
000008915 999C5 $$2Crossref$$9-- missing cx lookup --$$a10.1103/PhysRevB.65.184422
000008915 999C5 $$2Crossref$$9-- missing cx lookup --$$a10.1103/PhysRevLett.94.026405
000008915 999C5 $$2Crossref$$9-- missing cx lookup --$$a10.1103/PhysRevB.72.125119
000008915 999C5 $$2Crossref$$9-- missing cx lookup --$$a10.1103/PhysRevB.79.235118
000008915 999C5 $$2Crossref$$9-- missing cx lookup --$$a10.1103/PhysRevLett.89.167204
000008915 999C5 $$2Crossref$$9-- missing cx lookup --$$a10.1103/PhysRevLett.92.176403
000008915 999C5 $$2Crossref$$9-- missing cx lookup --$$a10.1103/PhysRevB.74.125120
000008915 999C5 $$2Crossref$$9-- missing cx lookup --$$a10.1103/PhysRevB.80.085101
000008915 999C5 $$2Crossref$$9-- missing cx lookup --$$a10.1103/PhysRevB.71.125119
000008915 999C5 $$2Crossref$$9-- missing cx lookup --$$a10.1103/PhysRevB.72.165104
000008915 999C5 $$2Crossref$$9-- missing cx lookup --$$a10.1103/PhysRev.139.A796
000008915 999C5 $$2Crossref$$9-- missing cx lookup --$$a10.1103/PhysRevB.70.195104
000008915 999C5 $$2Crossref$$9-- missing cx lookup --$$a10.1103/PhysRevB.74.125106
000008915 999C5 $$2Crossref$$9-- missing cx lookup --$$a10.1103/PhysRevB.77.085122
000008915 999C5 $$2Crossref$$9-- missing cx lookup --$$a10.1103/PhysRevB.49.16214
000008915 999C5 $$2Crossref$$9-- missing cx lookup --$$a10.1016/S0038-1098(02)00028-5
000008915 999C5 $$2Crossref$$9-- missing cx lookup --$$a10.1016/j.cpc.2008.10.009
000008915 999C5 $$2Crossref$$9-- missing cx lookup --$$a10.1103/PhysRevB.23.5048
000008915 999C5 $$2Crossref$$9-- missing cx lookup --$$a10.1103/PhysRevLett.53.2512
000008915 999C5 $$2Crossref$$9-- missing cx lookup --$$a10.1103/PhysRevB.80.155134
000008915 999C5 $$2Crossref$$9-- missing cx lookup --$$a10.1103/PhysRevLett.87.216405
000008915 999C5 $$2Crossref$$9-- missing cx lookup --$$a10.1016/j.cpc.2007.11.016
000008915 999C5 $$2Crossref$$9-- missing cx lookup --$$a10.1103/PhysRevB.78.035120
000008915 999C5 $$2Crossref$$9-- missing cx lookup --$$a10.1103/PhysRevB.57.4364
000008915 999C5 $$2Crossref$$9-- missing cx lookup --$$a10.1088/0953-8984/12/11/307
000008915 999C5 $$2Crossref$$9-- missing cx lookup --$$a10.1103/PhysRevB.65.075103
000008915 999C5 $$2Crossref$$9-- missing cx lookup --$$a10.1103/PhysRevB.68.245102
000008915 999C5 $$2Crossref$$9-- missing cx lookup --$$a10.1103/PhysRevB.71.035105
000008915 999C5 $$2Crossref$$9-- missing cx lookup --$$a10.1103/PhysRevB.71.045103
000008915 999C5 $$2Crossref$$9-- missing cx lookup --$$a10.1103/PhysRevLett.95.267205
000008915 999C5 $$2Crossref$$9-- missing cx lookup --$$a10.1103/PhysRevB.74.235113
000008915 999C5 $$2Crossref$$9-- missing cx lookup --$$a10.1063/1.2434184
000008915 999C5 $$2Crossref$$9-- missing cx lookup --$$a10.1007/BF01388063
000008915 999C5 $$2Crossref$$9-- missing cx lookup --$$a10.1103/PhysRevLett.44.95
000008915 999C5 $$2Crossref$$9-- missing cx lookup --$$a10.1103/PhysRevB.23.198
000008915 999C5 $$2Crossref$$9-- missing cx lookup --$$a10.1103/PhysRevB.11.287
000008915 999C5 $$2Crossref$$9-- missing cx lookup --$$a10.1103/PhysRevB.21.3245
000008915 999C5 $$2Crossref$$9-- missing cx lookup --$$a10.1103/PhysRevB.15.298
000008915 999C5 $$2Crossref$$9-- missing cx lookup --$$a10.1098/rspa.1965.0125
000008915 999C5 $$2Crossref$$9-- missing cx lookup --$$a10.1103/PhysRevB.11.2109
000008915 999C5 $$2Crossref$$9-- missing cx lookup --$$a10.1142/S0217979202010002
000008915 999C5 $$2Crossref$$9-- missing cx lookup --$$a10.1103/PhysRevLett.53.698
000008915 999C5 $$2Crossref$$9-- missing cx lookup --$$a10.1103/PhysRevB.29.314
000008915 999C5 $$2Crossref$$9-- missing cx lookup --$$a10.1103/PhysRevB.23.5203
000008915 999C5 $$2Crossref$$9-- missing cx lookup --$$a10.1140/epjb/e2002-00352-1
000008915 999C5 $$2Crossref$$9-- missing cx lookup --$$a10.1103/PhysRevB.76.035107
000008915 999C5 $$1D. Pines$$2Crossref$$oD. Pines The Many Body Problem 1962$$tThe Many Body Problem$$y1962
000008915 999C5 $$2Crossref$$9-- missing cx lookup --$$a10.1080/00018737000101201
000008915 999C5 $$2Crossref$$9-- missing cx lookup --$$a10.1103/PhysRevLett.43.2029
000008915 999C5 $$2Crossref$$9-- missing cx lookup --$$a10.1103/PhysRevLett.54.227
000008915 999C5 $$2Crossref$$9-- missing cx lookup --$$a10.1103/PhysRevLett.62.1157
000008915 999C5 $$2Crossref$$9-- missing cx lookup --$$a10.1103/PhysRevB.61.R858
000008915 999C5 $$2Crossref$$9-- missing cx lookup --$$a10.1103/PhysRevLett.82.2579
000008915 999C5 $$2Crossref$$9-- missing cx lookup --$$a10.1103/PhysRevLett.91.147201
000008915 999C5 $$2Crossref$$9-- missing cx lookup --$$a10.1103/PhysRevLett.99.087202
000008915 999C5 $$2Crossref$$9-- missing cx lookup --$$a10.1103/PhysRevLett.102.177206
000008915 999C5 $$2Crossref$$9-- missing cx lookup --$$a10.1088/0953-8984/16/41/023