000874049 001__ 874049
000874049 005__ 20230426083218.0
000874049 0247_ $$2doi$$a10.1103/PhysRevB.101.024418
000874049 0247_ $$2ISSN$$a0163-1829
000874049 0247_ $$2ISSN$$a0556-2805
000874049 0247_ $$2ISSN$$a1050-2947
000874049 0247_ $$2ISSN$$a1094-1622
000874049 0247_ $$2ISSN$$a1095-3795
000874049 0247_ $$2ISSN$$a1098-0121
000874049 0247_ $$2ISSN$$a1538-4489
000874049 0247_ $$2ISSN$$a1550-235X
000874049 0247_ $$2ISSN$$a2469-9950
000874049 0247_ $$2ISSN$$a2469-9969
000874049 0247_ $$2Handle$$a2128/24395
000874049 0247_ $$2altmetric$$aaltmetric:74337187
000874049 0247_ $$2WOS$$aWOS:000508449400009
000874049 037__ $$aFZJ-2020-01204
000874049 082__ $$a530
000874049 1001_ $$0P:(DE-Juel1)162311$$aHoffmann, Markus$$b0$$eCorresponding author$$ufzj
000874049 245__ $$aSystematic derivation of realistic spin models for beyond-Heisenberg solids
000874049 260__ $$aWoodbury, NY$$bInst.$$c2020
000874049 3367_ $$2DRIVER$$aarticle
000874049 3367_ $$2DataCite$$aOutput Types/Journal article
000874049 3367_ $$0PUB:(DE-HGF)16$$2PUB:(DE-HGF)$$aJournal Article$$bjournal$$mjournal$$s1582718699_4116
000874049 3367_ $$2BibTeX$$aARTICLE
000874049 3367_ $$2ORCID$$aJOURNAL_ARTICLE
000874049 3367_ $$00$$2EndNote$$aJournal Article
000874049 520__ $$aWe present a systematic derivation of effective lattice spin Hamiltonians derived from a rotationally invariant multiorbital Hubbard model including a term ensuring Hund's rule coupling. The Hamiltonians are derived down-folding the fermionic degrees of freedom of the Hubbard model into the proper low-energy spin sector using Löwdin partitioning, which will be outlined in detail for the case of two sites and two orbitals at each site. Correcting the ground state systematically up to fourth order in the hopping of electrons, we find, for spin S≥1, the biquadratic, three-spin, and four-spin interactions beyond the conventional Heisenberg term. Comparing the puzzling energy spectrum of the magnetic states for a single Fe monolayer on Ru(0001), obtained from density functional theory, with the spin Hamiltonians taken at the limit of classical spins, we show that the previously ignored three-spin interaction can be comparable in size to the conventional Heisenberg exchange.
000874049 536__ $$0G:(DE-HGF)POF3-142$$a142 - Controlling Spin-Based Phenomena (POF3-142)$$cPOF3-142$$fPOF III$$x0
000874049 536__ $$0G:(DE-HGF)POF3-143$$a143 - Controlling Configuration-Based Phenomena (POF3-143)$$cPOF3-143$$fPOF III$$x1
000874049 542__ $$2Crossref$$i2020-01-21$$uhttps://link.aps.org/licenses/aps-default-license
000874049 588__ $$aDataset connected to CrossRef
000874049 7001_ $$0P:(DE-Juel1)130548$$aBlügel, Stefan$$b1
000874049 77318 $$2Crossref$$3journal-article$$a10.1103/physrevb.101.024418$$bAmerican Physical Society (APS)$$d2020-01-21$$n2$$p024418$$tPhysical Review B$$v101$$x2469-9950$$y2020
000874049 773__ $$0PERI:(DE-600)2844160-6$$a10.1103/PhysRevB.101.024418$$gVol. 101, no. 2, p. 024418$$n2$$p024418$$tPhysical review / B$$v101$$x2469-9950$$y2020
000874049 8564_ $$uhttps://juser.fz-juelich.de/record/874049/files/Hoffmann_PRB2020.pdf$$yOpenAccess
000874049 8564_ $$uhttps://juser.fz-juelich.de/record/874049/files/PhysRevB.101.024418.pdf$$yOpenAccess
000874049 8564_ $$uhttps://juser.fz-juelich.de/record/874049/files/PhysRevB.101.024418.pdf?subformat=pdfa$$xpdfa$$yOpenAccess
000874049 909CO $$ooai:juser.fz-juelich.de:874049$$pdnbdelivery$$pdriver$$pVDB$$popen_access$$popenaire
000874049 9101_ $$0I:(DE-588b)5008462-8$$6P:(DE-Juel1)162311$$aForschungszentrum Jülich$$b0$$kFZJ
000874049 9101_ $$0I:(DE-588b)5008462-8$$6P:(DE-Juel1)130548$$aForschungszentrum Jülich$$b1$$kFZJ
000874049 9131_ $$0G:(DE-HGF)POF3-142$$1G:(DE-HGF)POF3-140$$2G:(DE-HGF)POF3-100$$3G:(DE-HGF)POF3$$4G:(DE-HGF)POF$$aDE-HGF$$bEnergie$$lFuture Information Technology - Fundamentals, Novel Concepts and Energy Efficiency (FIT)$$vControlling Spin-Based Phenomena$$x0
000874049 9131_ $$0G:(DE-HGF)POF3-143$$1G:(DE-HGF)POF3-140$$2G:(DE-HGF)POF3-100$$3G:(DE-HGF)POF3$$4G:(DE-HGF)POF$$aDE-HGF$$bEnergie$$lFuture Information Technology - Fundamentals, Novel Concepts and Energy Efficiency (FIT)$$vControlling Configuration-Based Phenomena$$x1
000874049 9141_ $$y2020
000874049 915__ $$0StatID:(DE-HGF)0200$$2StatID$$aDBCoverage$$bSCOPUS
000874049 915__ $$0StatID:(DE-HGF)0600$$2StatID$$aDBCoverage$$bEbsco Academic Search
000874049 915__ $$0LIC:(DE-HGF)APS-112012$$2HGFVOC$$aAmerican Physical Society Transfer of Copyright Agreement
000874049 915__ $$0StatID:(DE-HGF)0100$$2StatID$$aJCR$$bPHYS REV B : 2017
000874049 915__ $$0StatID:(DE-HGF)0150$$2StatID$$aDBCoverage$$bWeb of Science Core Collection
000874049 915__ $$0StatID:(DE-HGF)0110$$2StatID$$aWoS$$bScience Citation Index
000874049 915__ $$0StatID:(DE-HGF)0111$$2StatID$$aWoS$$bScience Citation Index Expanded
000874049 915__ $$0StatID:(DE-HGF)9900$$2StatID$$aIF < 5
000874049 915__ $$0StatID:(DE-HGF)0510$$2StatID$$aOpenAccess
000874049 915__ $$0StatID:(DE-HGF)0030$$2StatID$$aPeer Review$$bASC
000874049 915__ $$0StatID:(DE-HGF)1150$$2StatID$$aDBCoverage$$bCurrent Contents - Physical, Chemical and Earth Sciences
000874049 915__ $$0StatID:(DE-HGF)0300$$2StatID$$aDBCoverage$$bMedline
000874049 915__ $$0StatID:(DE-HGF)0199$$2StatID$$aDBCoverage$$bClarivate Analytics Master Journal List
000874049 9201_ $$0I:(DE-Juel1)IAS-1-20090406$$kIAS-1$$lQuanten-Theorie der Materialien$$x0
000874049 9201_ $$0I:(DE-Juel1)PGI-1-20110106$$kPGI-1$$lQuanten-Theorie der Materialien$$x1
000874049 9201_ $$0I:(DE-82)080009_20140620$$kJARA-FIT$$lJARA-FIT$$x2
000874049 9201_ $$0I:(DE-82)080012_20140620$$kJARA-HPC$$lJARA - HPC$$x3
000874049 980__ $$ajournal
000874049 980__ $$aVDB
000874049 980__ $$aUNRESTRICTED
000874049 980__ $$aI:(DE-Juel1)IAS-1-20090406
000874049 980__ $$aI:(DE-Juel1)PGI-1-20110106
000874049 980__ $$aI:(DE-82)080009_20140620
000874049 980__ $$aI:(DE-82)080012_20140620
000874049 9801_ $$aFullTexts
000874049 999C5 $$1P. W. Anderson$$2Crossref$$oP. W. Anderson Exchange in Insulators: Superexchange, Direct Exchange, and Double Exchange 1963$$tExchange in Insulators: Superexchange, Direct Exchange, and Double Exchange$$y1963
000874049 999C5 $$1H. J. Zeiger$$2Crossref$$oH. J. Zeiger Magnetic Interactions in Solids 1973$$tMagnetic Interactions in Solids$$y1973
000874049 999C5 $$1C. de Graaf$$2Crossref$$oC. de Graaf Magnetic Interactions in Solids and Molecules 2015$$tMagnetic Interactions in Solids and Molecules$$y2015
000874049 999C5 $$2Crossref$$9-- missing cx lookup --$$a10.1038/natrevmats.2017.31
000874049 999C5 $$2Crossref$$9-- missing cx lookup --$$a10.1103/PhysRevLett.87.116801
000874049 999C5 $$2Crossref$$9-- missing cx lookup --$$a10.1038/nphys2231
000874049 999C5 $$2Crossref$$9-- missing cx lookup --$$a10.1038/ncomms13613
000874049 999C5 $$2Crossref$$9-- missing cx lookup --$$a10.1038/ncomms5030
000874049 999C5 $$2Crossref$$9-- missing cx lookup --$$a10.1103/PhysRevB.84.224413
000874049 999C5 $$2Crossref$$9-- missing cx lookup --$$a10.1103/PhysRevB.92.020401
000874049 999C5 $$2Crossref$$9-- missing cx lookup --$$a10.1088/0305-4608/15/6/018
000874049 999C5 $$2Crossref$$9-- missing cx lookup --$$a10.1103/PhysRevB.58.293
000874049 999C5 $$2Crossref$$9-- missing cx lookup --$$a10.1103/PhysRevB.64.174402
000874049 999C5 $$1M. Fähnle$$2Crossref$$9-- missing cx lookup --$$a10.1002/9780470022184.hmm122$$y2007
000874049 999C5 $$2Crossref$$9-- missing cx lookup --$$a10.1103/PhysRevLett.107.017204
000874049 999C5 $$2Crossref$$9-- missing cx lookup --$$a10.1103/PhysRevLett.107.119901
000874049 999C5 $$2Crossref$$9-- missing cx lookup --$$a10.1007/BF01328601
000874049 999C5 $$2Crossref$$9-- missing cx lookup --$$a10.1038/nature05802
000874049 999C5 $$2Crossref$$9-- missing cx lookup --$$a10.1080/14786430500504048
000874049 999C5 $$2Crossref$$9-- missing cx lookup --$$a10.1103/PhysRevB.72.184415
000874049 999C5 $$2Crossref$$9-- missing cx lookup --$$a10.1103/PhysRevB.14.3090
000874049 999C5 $$2Crossref$$9-- missing cx lookup --$$a10.1103/PhysRevLett.101.027201
000874049 999C5 $$2Crossref$$9-- missing cx lookup --$$a10.1103/PhysRevLett.86.1106
000874049 999C5 $$2Crossref$$9-- missing cx lookup --$$a10.1103/PhysRev.120.335
000874049 999C5 $$2Crossref$$9-- missing cx lookup --$$a10.1016/0038-1098(72)90755-7
000874049 999C5 $$2Crossref$$9-- missing cx lookup --$$a10.1016/0304-8853(93)91197-F
000874049 999C5 $$2Crossref$$9-- missing cx lookup --$$a10.1088/0305-4470/10/3/011
000874049 999C5 $$2Crossref$$9-- missing cx lookup --$$a10.1103/PhysRevB.18.5078
000874049 999C5 $$2Crossref$$9-- missing cx lookup --$$a10.1103/PhysRev.140.A1803
000874049 999C5 $$2Crossref$$9-- missing cx lookup --$$a10.1103/PhysRevLett.11.10
000874049 999C5 $$2Crossref$$9-- missing cx lookup --$$a10.1103/PhysRevB.33.6287
000874049 999C5 $$2Crossref$$9-- missing cx lookup --$$a10.1103/PhysRevB.74.092406
000874049 999C5 $$2Crossref$$9-- missing cx lookup --$$a10.1063/1.593898
000874049 999C5 $$2Crossref$$9-- missing cx lookup --$$a10.1103/PhysRevLett.85.2380
000874049 999C5 $$2Crossref$$9-- missing cx lookup --$$a10.1103/PhysRevB.11.4725
000874049 999C5 $$2Crossref$$9-- missing cx lookup --$$a10.1088/0022-3719/10/8/031
000874049 999C5 $$2Crossref$$9-- missing cx lookup --$$a10.1103/PhysRevB.37.9753
000874049 999C5 $$2Crossref$$9-- missing cx lookup --$$a10.1007/s002570050153
000874049 999C5 $$2Crossref$$9-- missing cx lookup --$$a10.1143/JPSJ.70.3089
000874049 999C5 $$2Crossref$$9-- missing cx lookup --$$a10.1063/1.361678
000874049 999C5 $$2Crossref$$9-- missing cx lookup --$$a10.1103/PhysRevLett.108.087205
000874049 999C5 $$2Crossref$$9-- missing cx lookup --$$a10.1038/nphys2045
000874049 999C5 $$2Crossref$$9-- missing cx lookup --$$a10.1002/pssb.201147090
000874049 999C5 $$2Crossref$$9-- missing cx lookup --$$a10.1103/PhysRevLett.120.207202
000874049 999C5 $$2Crossref$$9-- missing cx lookup --$$a10.1103/PhysRevLett.120.207201
000874049 999C5 $$2Crossref$$9-- missing cx lookup --$$a10.1143/JPSJ.36.48
000874049 999C5 $$2Crossref$$9-- missing cx lookup --$$a10.1143/JPSJ.47.786
000874049 999C5 $$2Crossref$$9-- missing cx lookup --$$a10.1016/0375-9601(80)90148-6
000874049 999C5 $$2Crossref$$9-- missing cx lookup --$$a10.1143/JPSJ.24.1169
000874049 999C5 $$2Crossref$$9-- missing cx lookup --$$a10.1103/PhysRevB.76.132412
000874049 999C5 $$2Crossref$$9-- missing cx lookup --$$a10.1016/S0304-8853(97)00166-2
000874049 999C5 $$2Crossref$$9-- missing cx lookup --$$a10.1063/1.1748067
000874049 999C5 $$1R. Winkler$$2Crossref$$9-- missing cx lookup --$$a10.1007/b13586$$y2003
000874049 999C5 $$2Crossref$$9-- missing cx lookup --$$a10.1103/PhysRev.149.491
000874049 999C5 $$2Crossref$$9-- missing cx lookup --$$a10.1016/j.aop.2011.06.004
000874049 999C5 $$2Crossref$$9-- missing cx lookup --$$a10.1098/rspa.1963.0204
000874049 999C5 $$2Crossref$$9-- missing cx lookup --$$a10.1098/rspa.1964.0019
000874049 999C5 $$2Crossref$$9-- missing cx lookup --$$a10.1098/rspa.1964.0190
000874049 999C5 $$2Crossref$$9-- missing cx lookup --$$a10.1103/PhysRevB.79.094411