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000911208 1001_ $$0P:(DE-HGF)0$$aJacobsson, A.$$b0$$eCorresponding author
000911208 245__ $$aEfficient parameterisation of non-collinear energy landscapes in itinerant magnets
000911208 260__ $$a[London]$$bMacmillan Publishers Limited, part of Springer Nature$$c2022
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000911208 520__ $$aMagnetic exchange interactions determine the magnetic groundstate, as well as magnetic excitations of materials and are thus essential to the emerging and fast evolving fields of spintronics and magnonics. The magnetic force theorem has been used extensively for studying magnetic exchange interactions. However, short-ranged interactions in itinerant magnetic systems are poorly described by this method and numerous strategies have been developed over the years to overcome this deficiency. The present study supplies a fully self-consistent method for systematic investigations of exchange interactions beyond the standard Heisenberg model. In order to better describe finite deviations from the magnetic ground state, an extended Heisenberg model, including multi-spin interactions, is suggested. Using cross-validation analysis, we show that this extended Heisenberg model gives a superior description for non-collinear magnetic configurations. This parameterisation method allows us to describe many different itinerant magnetic systems and can be useful for high-throughput calculations.
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000911208 7001_ $$0P:(DE-HGF)0$$aJohansson, G.$$b1
000911208 7001_ $$0P:(DE-HGF)0$$aGorbatov, O. I.$$b2
000911208 7001_ $$0P:(DE-Juel1)130799$$aLezaic, Marjana$$b3$$ufzj
000911208 7001_ $$0P:(DE-HGF)0$$aSanyal, B.$$b4
000911208 7001_ $$0P:(DE-Juel1)130548$$aBlügel, Stefan$$b5$$ufzj
000911208 7001_ $$0P:(DE-HGF)0$$aEtz, C.$$b6
000911208 773__ $$0PERI:(DE-600)2615211-3$$a10.1038/s41598-022-20311-7$$gVol. 12, no. 1, p. 18987$$n1$$p18987$$tScientific reports$$v12$$x2045-2322$$y2022
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000911208 9101_ $$0I:(DE-HGF)0$$6P:(DE-HGF)0$$a Applied Physics, Department of Engineering Sciences and Mathematics, LuleåUniversity of Technology, Luleå, Sweden$$b0
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