Contribution to a book

FZJ-2019-06465

http://join2-wiki.gsi.de/foswiki/pub/Main/Artwork/join2_logo100x88.png KKRnano: Quantum Description of Skyrmions in Chiral B20 Magnets

Bornemann, M. (Corresponding author)FZJ* ; Baumeister, P. F.FZJ* ; Zeller, R.FZJ* ; Blügel, S.FZJ*

2019
Springer International Publishing Cham

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Please use a persistent id in citations: doi:10.1007/978-3-030-13325-2_31

Abstract: We 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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Contributing Institute(s):

1. Quanten-Theorie der Materialien (IAS-1)
2. Quanten-Theorie der Materialien (PGI-1)
3. JARA-FIT (JARA-FIT)
4. JARA - HPC (JARA-HPC)
5. Jülich Supercomputing Center (JSC)

Research Program(s):

1. 142 - Controlling Spin-Based Phenomena (POF3-142) (POF3-142)
2. 143 - Controlling Configuration-Based Phenomena (POF3-143) (POF3-143)
3. 511 - Computational Science and Mathematical Methods (POF3-511) (POF3-511)

Appears in the scientific report 2019

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