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000867863 1001_ $$0P:(DE-Juel1)165995$$aBornemann, Marcel$$b0$$eCorresponding author$$ufzj
000867863 245__ $$aKKRnano: Quantum Description of Skyrmions in Chiral B20 Magnets
000867863 260__ $$aCham$$bSpringer International Publishing$$c2019
000867863 29510 $$aHigh Performance Computing in Science and Engineering ' 18 / Nagel, Wolfgang E. (Editor)   ; Cham : Springer International Publishing, 2019, Chapter 31 ; ISBN: 978-3-030-13324-5 ; doi:10.1007/978-3-030-13325-2
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000867863 520__ $$aWe present the latest version of the linear-scaling electronic structure code KKRnano, in which an enhanced Korringa-Kohn-Rostoker (KKR) scheme is utilized to perform Density Functional Theory (DFT) calculations. The code allows us to treat system sizes of up to several thousands of atoms per unit cell and to simulate a non-collinear alignment of atomic spins. This capability is used to investigate nanometer-sized magnetic textures in the germanide B20-MnGe, a material that is potentially going to play an important role in future spintronic devices. A performance analysis of KKRnano on Hazel Hen emphasizes the good scaling behaviour with increasing system size and demonstrates the extensive integration of highly optimized libraries.
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000867863 7001_ $$0P:(DE-Juel1)156619$$aBaumeister, Paul F.$$b1$$ufzj
000867863 7001_ $$0P:(DE-Juel1)131057$$aZeller, Rudolf$$b2$$ufzj
000867863 7001_ $$0P:(DE-Juel1)130548$$aBlügel, Stefan$$b3$$ufzj
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