TY  - CHAP
AU  - Bornemann, Marcel
AU  - Baumeister, Paul F.
AU  - Zeller, Rudolf
AU  - Blügel, Stefan
TI  - KKRnano: Quantum Description of Skyrmions in Chiral B20 Magnets
CY  - Cham
PB  - Springer International Publishing
M1  - FZJ-2019-06465
SP  - 489-503
PY  - 2019
AB  - 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.
LB  - PUB:(DE-HGF)7
DO  - DOI:10.1007/978-3-030-13325-2_31
UR  - https://juser.fz-juelich.de/record/867863
ER  -