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000842668 1001_ $$0P:(DE-Juel1)161179$$aHanke, Jan-Philipp$$b0$$eCorresponding author$$ufzj
000842668 245__ $$aHigher-dimensional Wannier Interpolation for the Modern Theory of the Dzyaloshinskii–Moriya Interaction: Application to Co-based Trilayers
000842668 260__ $$aTokyo$$bThe Physical Society of Japan$$c2018
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000842668 520__ $$aWe present an advanced first-principles formalism to evaluate the Dzyaloshinskii–Moriya interaction (DMI) in its modern theory as well as Berry curvatures in complex spaces based on a higher-dimensional Wannier interpolation. Our method is applied to the Co-based trilayer systems IrδPt1−δ/Co/Pt and AuγPt1−γ/Co/Pt, where we gain insights into the correlations between the electronic structure and the DMI, and we uncover prominent sign changes of the chiral interaction with the overlayer composition. Beyond the discussed phenomena, the scope of applications of our Wannier-based scheme is particularly broad as it is ideally suited to study efficiently the Hamiltonian evolution under the slow variation of very general parameters.
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000842668 536__ $$0G:(DE-Juel1)jias12_20121101$$aTopological transport in real materials from ab initio (jias12_20121101)$$cjias12_20121101$$fTopological transport in real materials from ab initio$$x2
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000842668 7001_ $$0P:(DE-Juel1)130643$$aFreimuth, Frank$$b1$$ufzj
000842668 7001_ $$0P:(DE-Juel1)130548$$aBlügel, Stefan$$b2$$ufzj
000842668 7001_ $$0P:(DE-Juel1)130848$$aMokrousov, Yuriy$$b3$$ufzj
000842668 773__ $$0PERI:(DE-600)2042147-3$$a10.7566/JPSJ.87.041010$$gVol. 87, no. 4, p. 041010 -$$n4$$p041010$$tJournal of the Physical Society of Japan$$v87$$x1347-4073$$y2018
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