000022139 001__ 22139
000022139 005__ 20230426083035.0
000022139 0247_ $$2DOI$$a10.1103/PhysRevB.85.245412
000022139 0247_ $$2WOS$$aWOS:000304808000012
000022139 0247_ $$2Handle$$a2128/10856
000022139 037__ $$aPreJuSER-22139
000022139 041__ $$aeng
000022139 082__ $$a530
000022139 084__ $$2WoS$$aPhysics, Condensed Matter
000022139 1001_ $$0P:(DE-HGF)0$$aHardrat, B.$$b0
000022139 245__ $$aOne-dimensional ballistic transport with FLAPW Wannier functions
000022139 260__ $$aCollege Park, Md.$$bAPS$$c2012
000022139 300__ $$a245412
000022139 3367_ $$0PUB:(DE-HGF)16$$2PUB:(DE-HGF)$$aJournal Article
000022139 3367_ $$2DataCite$$aOutput Types/Journal article
000022139 3367_ $$00$$2EndNote$$aJournal Article
000022139 3367_ $$2BibTeX$$aARTICLE
000022139 3367_ $$2ORCID$$aJOURNAL_ARTICLE
000022139 3367_ $$2DRIVER$$aarticle
000022139 440_0 $$04919$$aPhysical Review B$$v85$$x1098-0121$$y24
000022139 500__ $$3POF3_Assignment on 2016-02-29
000022139 500__ $$aWe acknowledge helpful discussions with S. Blugel. Funding by the DFG within the SFB677 is gratefully acknowledged. S. H. thanks the DFG for financial support under HE3292/8-1. N.-P.W. is grateful for financial support from The Natural Science Foundation of Zhejiang Province in China under Grant No. Y6100467. Y.M. and F. F. gratefully acknowledge the Julich Supercomputing Centre for computing time and funding under the HGF-YIG Programme VH-NG-513.
000022139 520__ $$aWe present an implementation of the ballistic Landauer-Buttiker transport scheme in one-dimensional systems based on density functional theory calculations within the full-potential linearized augmented plane-wave (FLAPW) method. In order to calculate the conductance within the Green's function method, we map the electronic structure from the extended states of the FLAPW calculation to Wannier functions, which constitute a minimal localized basis set. Our approach benefits from the high accuracy of the underlying FLAPW calculations, allowing us to address the complex interplay of structure, magnetism, and spin-orbit coupling and is ideally suited to study spin-dependent electronic transport in one-dimensional magnetic nanostructures. To illustrate our approach, we study ballistic electron transport in nonmagnetic Pt monowires with a single stretched bond including spin-orbit coupling, and in ferromagnetic Co monowires with different collinear magnetic alignment of the electrodes with the purpose of analyzing the magnetoresistance when going from tunneling to the contact regime. We further investigate spin-orbit scattering due to an impurity atom. We consider two configurations: a Co atom in a Pt monowire and vice versa. In both cases, the spin-orbit induced band mixing leads to a change of the conductance upon switching the magnetization direction from along the chain axis to perpendicular to it. The main contribution stems from ballistic spin scattering for the magnetic Co impurity in the nonmagnetic Pt monowire, and for the Pt scatterer in the magnetic Co monowire from the band formed from states with d(xy) and d(x2-y2) orbital symmetry. We quantify this effect by calculating the ballistic anisotropic magnetoresistance, which displays values up to as much as 7% for ballistic spin scattering and gigantic values of around 100% for the Pt impurity in the Co wire. In addition, we show that the presence of a scatterer can reduce as well as increase the ballistic anisotropic magnetoresistance.
000022139 536__ $$0G:(DE-Juel1)FUEK412$$2G:(DE-HGF)$$aGrundlagen für zukünftige Informationstechnologien$$cP42$$x0
000022139 542__ $$2Crossref$$i2012-06-05$$uhttp://link.aps.org/licenses/aps-default-license
000022139 588__ $$aDataset connected to Web of Science
000022139 650_7 $$2WoSType$$aJ
000022139 7001_ $$0P:(DE-HGF)0$$aWang, N.$$b1
000022139 7001_ $$0P:(DE-Juel1)130643$$aFreimuth, F.$$b2$$uFZJ
000022139 7001_ $$0P:(DE-Juel1)VDB37182$$aMokrousov, Y.$$b3$$uFZJ
000022139 7001_ $$0P:(DE-HGF)0$$aHeinze, S.$$b4
000022139 77318 $$2Crossref$$3journal-article$$a10.1103/physrevb.85.245412$$bAmerican Physical Society (APS)$$d2012-06-05$$n24$$p245412$$tPhysical Review B$$v85$$x1098-0121$$y2012
000022139 773__ $$0PERI:(DE-600)2844160-6$$a10.1103/PhysRevB.85.245412$$gVol. 85, p. 245412$$n24$$p245412$$q85<245412$$tPhysical review / B$$v85$$x1098-0121$$y2012
000022139 8567_ $$uhttp://dx.doi.org/10.1103/PhysRevB.85.245412
000022139 8564_ $$uhttps://juser.fz-juelich.de/record/22139/files/PhysRevB.85.245412.pdf$$yOpenAccess
000022139 8564_ $$uhttps://juser.fz-juelich.de/record/22139/files/PhysRevB.85.245412.gif?subformat=icon$$xicon$$yOpenAccess
000022139 8564_ $$uhttps://juser.fz-juelich.de/record/22139/files/PhysRevB.85.245412.jpg?subformat=icon-180$$xicon-180$$yOpenAccess
000022139 8564_ $$uhttps://juser.fz-juelich.de/record/22139/files/PhysRevB.85.245412.jpg?subformat=icon-700$$xicon-700$$yOpenAccess
000022139 8564_ $$uhttps://juser.fz-juelich.de/record/22139/files/PhysRevB.85.245412.pdf?subformat=pdfa$$xpdfa$$yOpenAccess
000022139 909CO $$ooai:juser.fz-juelich.de:22139$$pdnbdelivery$$pVDB$$pdriver$$popen_access$$popenaire
000022139 9141_ $$y2012
000022139 915__ $$0StatID:(DE-HGF)0150$$2StatID$$aDBCoverage$$bWeb of Science Core Collection
000022139 915__ $$0LIC:(DE-HGF)APS-112012$$2HGFVOC$$aAmerican Physical Society Transfer of Copyright Agreement
000022139 915__ $$0StatID:(DE-HGF)0100$$2StatID$$aJCR
000022139 915__ $$0StatID:(DE-HGF)0200$$2StatID$$aDBCoverage$$bSCOPUS
000022139 915__ $$0StatID:(DE-HGF)0110$$2StatID$$aWoS$$bScience Citation Index
000022139 915__ $$0StatID:(DE-HGF)0111$$2StatID$$aWoS$$bScience Citation Index Expanded
000022139 915__ $$0StatID:(DE-HGF)0510$$2StatID$$aOpenAccess
000022139 915__ $$0StatID:(DE-HGF)0010$$2StatID$$aJCR/ISI refereed
000022139 915__ $$0StatID:(DE-HGF)0300$$2StatID$$aDBCoverage$$bMedline
000022139 915__ $$0StatID:(DE-HGF)1020$$2StatID$$aDBCoverage$$bCurrent Contents - Social and Behavioral Sciences
000022139 915__ $$0StatID:(DE-HGF)0420$$2StatID$$aNationallizenz
000022139 915__ $$0StatID:(DE-HGF)0199$$2StatID$$aDBCoverage$$bThomson Reuters Master Journal List
000022139 9131_ $$0G:(DE-Juel1)FUEK412$$1G:(DE-HGF)POF2-420$$2G:(DE-HGF)POF2-400$$aDE-HGF$$bSchlüsseltechnologien$$kP42$$lGrundlagen für zukünftige Informationstechnologien (FIT)$$vGrundlagen für zukünftige Informationstechnologien$$x0
000022139 9132_ $$0G:(DE-HGF)POF3-529H$$1G:(DE-HGF)POF3-520$$2G:(DE-HGF)POF3-500$$aDE-HGF$$bKey Technologies$$lFuture Information Technology - Fundamentals, Novel Concepts and Energy Efficiency (FIT)$$vAddenda$$x0
000022139 9201_ $$0I:(DE-Juel1)IAS-1-20090406$$gIAS$$kIAS-1$$lQuanten-Theorie der Materialien$$x1$$zIFF-1
000022139 9201_ $$0I:(DE-Juel1)PGI-1-20110106$$gPGI$$kPGI-1$$lQuanten-Theorie der Materialien$$x0
000022139 970__ $$aVDB:(DE-Juel1)138433
000022139 980__ $$aVDB
000022139 980__ $$aConvertedRecord
000022139 980__ $$ajournal
000022139 980__ $$aI:(DE-Juel1)IAS-1-20090406
000022139 980__ $$aI:(DE-Juel1)PGI-1-20110106
000022139 980__ $$aUNRESTRICTED
000022139 9801_ $$aFullTexts
000022139 981__ $$aI:(DE-Juel1)PGI-1-20110106
000022139 999C5 $$2Crossref$$9-- missing cx lookup --$$a10.1103/PhysRevB.77.155401
000022139 999C5 $$2Crossref$$9-- missing cx lookup --$$a10.1103/PhysRevLett.102.086805
000022139 999C5 $$2Crossref$$9-- missing cx lookup --$$a10.1088/0953-8984/20/22/223001
000022139 999C5 $$2Crossref$$9-- missing cx lookup --$$a10.1103/PhysRevB.82.085412
000022139 999C5 $$2Crossref$$9-- missing cx lookup --$$a10.1038/nmat1510
000022139 999C5 $$2Crossref$$9-- missing cx lookup --$$a10.1038/nature07878
000022139 999C5 $$2Crossref$$9-- missing cx lookup --$$a10.1088/1367-2630/13/8/085011
000022139 999C5 $$2Crossref$$9-- missing cx lookup --$$a10.1038/nnano.2011.11
000022139 999C5 $$2Crossref$$9-- missing cx lookup --$$a10.1103/PhysRevLett.94.127203
000022139 999C5 $$2Crossref$$9-- missing cx lookup --$$a10.1038/nnano.2007.36
000022139 999C5 $$2Crossref$$9-- missing cx lookup --$$a10.1103/PhysRevB.31.6207
000022139 999C5 $$2Crossref$$9-- missing cx lookup --$$a10.1103/PhysRevLett.68.2512
000022139 999C5 $$2Crossref$$9-- missing cx lookup --$$a10.1103/PhysRevB.38.12238
000022139 999C5 $$2Crossref$$9-- missing cx lookup --$$a10.1103/PhysRevB.58.10911
000022139 999C5 $$2Crossref$$9-- missing cx lookup --$$a10.1103/PhysRevLett.73.150
000022139 999C5 $$2Crossref$$9-- missing cx lookup --$$a10.1103/PhysRevB.59.2267
000022139 999C5 $$2Crossref$$9-- missing cx lookup --$$a10.1103/PhysRevB.62.8430
000022139 999C5 $$2Crossref$$9-- missing cx lookup --$$a10.1103/PhysRevB.52.5335
000022139 999C5 $$2Crossref$$9-- missing cx lookup --$$a10.1103/PhysRevB.72.155429
000022139 999C5 $$2Crossref$$9-- missing cx lookup --$$a10.1103/PhysRevB.72.035450
000022139 999C5 $$1L. V. Keldysh$$2Crossref$$oL. V. Keldysh 1965$$y1965
000022139 999C5 $$1L. Kadanoff$$2Crossref$$oL. Kadanoff Quantum Statistical Mechanics 1962$$tQuantum Statistical Mechanics$$y1962
000022139 999C5 $$2Crossref$$9-- missing cx lookup --$$a10.1103/PhysRevLett.93.256601
000022139 999C5 $$2Crossref$$9-- missing cx lookup --$$a10.1103/PhysRevB.75.205413
000022139 999C5 $$2Crossref$$9-- missing cx lookup --$$a10.1103/PhysRevB.77.115333
000022139 999C5 $$2Crossref$$9-- missing cx lookup --$$a10.1103/PhysRevB.40.8169
000022139 999C5 $$2Crossref$$9-- missing cx lookup --$$a10.1103/PhysRevB.69.235411
000022139 999C5 $$2Crossref$$9-- missing cx lookup --$$a10.1103/PhysRevB.73.045428
000022139 999C5 $$2Crossref$$9-- missing cx lookup --$$a10.1103/PhysRevB.59.11936
000022139 999C5 $$2Crossref$$9-- missing cx lookup --$$a10.1103/PhysRevB.77.104409
000022139 999C5 $$2Crossref$$9-- missing cx lookup --$$a10.1103/PhysRevB.60.7828
000022139 999C5 $$2Crossref$$9-- missing cx lookup --$$a10.1103/PhysRevB.63.245407
000022139 999C5 $$2Crossref$$9-- missing cx lookup --$$a10.1103/PhysRevB.64.245423
000022139 999C5 $$2Crossref$$9-- missing cx lookup --$$a10.1016/S0301-0104(02)00446-9
000022139 999C5 $$2Crossref$$9-- missing cx lookup --$$a10.1103/PhysRevB.65.165401
000022139 999C5 $$2Crossref$$9-- missing cx lookup --$$a10.1103/PhysRevB.67.115404
000022139 999C5 $$2Crossref$$9-- missing cx lookup --$$a10.1103/PhysRevB.69.035108
000022139 999C5 $$2Crossref$$9-- missing cx lookup --$$a10.1103/PhysRevB.70.085410
000022139 999C5 $$2Crossref$$9-- missing cx lookup --$$a10.1103/PhysRevLett.88.256803
000022139 999C5 $$2Crossref$$9-- missing cx lookup --$$a10.1021/jp003033
000022139 999C5 $$2Crossref$$9-- missing cx lookup --$$a10.1103/PhysRevB.64.115411
000022139 999C5 $$2Crossref$$9-- missing cx lookup --$$a10.1103/PhysRevB.66.035322
000022139 999C5 $$2Crossref$$9-- missing cx lookup --$$a10.1016/j.chemphys.2005.05.032
000022139 999C5 $$2Crossref$$9-- missing cx lookup --$$a10.1088/1367-2630/10/12/125019
000022139 999C5 $$2Crossref$$9-- missing cx lookup --$$a10.1103/PhysRevB.73.085414
000022139 999C5 $$2Crossref$$9-- missing cx lookup --$$a10.1103/PhysRevB.70.045417
000022139 999C5 $$2Crossref$$9-- missing cx lookup --$$a10.1103/PhysRevB.74.045429
000022139 999C5 $$2Crossref$$9-- missing cx lookup --$$a10.1103/PhysRevB.56.12847
000022139 999C5 $$2Crossref$$9-- missing cx lookup --$$a10.1088/0253-6102/55/1/28
000022139 999C5 $$2Crossref$$9-- missing cx lookup --$$a10.1016/j.cpc.2011.05.017
000022139 999C5 $$2Crossref$$9-- missing cx lookup --$$a10.1103/PhysRevB.77.165412
000022139 999C5 $$2Crossref$$9-- missing cx lookup --$$a10.1103/PhysRevB.78.014423
000022139 999C5 $$2Crossref$$9-- missing cx lookup --$$a10.1103/PhysRevB.79.140410
000022139 999C5 $$2Crossref$$9-- missing cx lookup --$$a10.1103/PhysRevB.72.045402
000022139 999C5 $$2Crossref$$9-- missing cx lookup --$$a10.1103/PhysRevB.78.035120
000022139 999C5 $$2Crossref$$9-- missing cx lookup --$$a10.1016/j.cpc.2010.08.005
000022139 999C5 $$1S. Datta$$2Crossref$$9-- missing cx lookup --$$a10.1017/CBO9781139164313$$y2005
000022139 999C5 $$1S. Datta$$2Crossref$$9-- missing cx lookup --$$a10.1017/CBO9780511805776$$y1995
000022139 999C5 $$2Crossref$$9-- missing cx lookup --$$a10.1103/PhysRevB.28.4397
000022139 999C5 $$2Crossref$$9-- missing cx lookup --$$a10.1103/PhysRevB.65.035109
000022139 999C5 $$2Crossref$$9-- missing cx lookup --$$a10.1103/PhysRev.52.191
000022139 999C5 $$2Crossref$$9-- missing cx lookup --$$a10.1016/j.cpc.2007.11.016
000022139 999C5 $$2Crossref$$9-- missing cx lookup --$$a10.1103/PhysRevB.71.125119
000022139 999C5 $$2Crossref$$9-- missing cx lookup --$$a10.1103/PhysRevB.71.125116
000022139 999C5 $$2Crossref$$9-- missing cx lookup --$$a10.1103/PhysRevLett.95.076804
000022139 999C5 $$2Crossref$$9-- missing cx lookup --$$a10.1103/PhysRevLett.100.176803
000022139 999C5 $$2Crossref$$9-- missing cx lookup --$$a10.1209/0295-5075/94/67001
000022139 999C5 $$2Crossref$$9-- missing cx lookup --$$a10.1103/PhysRevLett.96.147201
000022139 999C5 $$2Crossref$$9-- missing cx lookup --$$a10.1103/PhysRevB.81.054433
000022139 999C5 $$2Crossref$$9-- missing cx lookup --$$a10.1038/nnano.2007.419
000022139 999C5 $$2Crossref$$9-- missing cx lookup --$$a10.1103/PhysRevB.78.205412
000022139 999C5 $$2Crossref$$9-- missing cx lookup --$$a10.1103/PhysRevLett.80.890