Skip to main content
SpringerLink
Log in

KKRnano: Quantum Description of Skyrmions in Chiral B20 Magnets

  • Conference paper
  • First Online:
High Performance Computing in Science and Engineering ' 18

  • 931 Accesses

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.

This is a preview of subscription content, log in via an institution to check access.

Access this chapter

Log in via an institution
Chapter
USD 29.95
Price excludes VAT (USA)
  • Available as PDF
  • Read on any device
  • Instant download
  • Own it forever
eBook
USD 129.00
Price excludes VAT (USA)
  • Available as EPUB and PDF
  • Read on any device
  • Instant download
  • Own it forever
Softcover Book
USD 169.99
Price excludes VAT (USA)
  • Compact, lightweight edition
  • Dispatched in 3 to 5 business days
  • Free shipping worldwide - see info
Hardcover Book
USD 169.99
Price excludes VAT (USA)
  • Durable hardcover edition
  • Dispatched in 3 to 5 business days
  • Free shipping worldwide - see info

Tax calculation will be finalised at checkout

Purchases are for personal use only

Institutional subscriptions

References

  1. R. Zeller, J. Phys.: Condens. Matter 20, 294215 (2008)

    Google Scholar 

  2. A. Thiess, R. Zeller, M. Bolten, P.H. Dederichs, S. Blügel, Phys. Rev. B 85, 235103 (2012)

    Article  Google Scholar 

  3. M. Bornemann, Large-scale Investigations of Non-trivial Magnetic Textures in Chiral Magnets with Density Functional Theory. PhD thesis, RWTH Aachen University, Aachen. Submitted

    Google Scholar 

  4. T. Tanigaki, K. Shibata, N. Kanazawa, X. Yu, Y. Onose, H.S. Park, D. Shindo, Y. Tokura, Nano Lett. 15, 5438 (2015)

    Article  Google Scholar 

  5. F.N. Rybakov, A.B. Borisov, S. Blügel, N.S. Kiselev, New J. Phys. 18, 045002 (2016)

    Article  Google Scholar 

  6. M. Bornemann, P.F. Baumeister, R. Kovacik, B. Zimmermann, P. Mavropoulos, S. Lounis, N. Kiselev, P.H. Dederichs, R. Zeller, S. Blügel, (Frühjahrstagung der Deutschen Physikalischen Gesellschaft, Dresden (Germany), 19 Mar 2017 - 24 Mar 2017)

    Google Scholar 

  7. M. Bornemann, S. Grytsiuk, P.F. Baumeister, P. Mavropoulos, N. Kiselev, S. Lounis, R. Zeller, S. Blügel, (Frühjahrstagung der Deutschen Physikalischen Gesellschaft, Berlin (Germany), 11 Mar 2018 - 16 Mar 2018)

    Google Scholar 

  8. R.W. Freund, N.M. Nachtigal, Numer. Math. 60, 315 (1991)

    Article  MathSciNet  Google Scholar 

  9. R. Zeller, J. Deutz, P. Dederichs, Solid State Commun. 44, 993 (1982)

    Article  Google Scholar 

  10. R. Zeller, P.H. Dederichs, B. Újfalussy, L. Szunyogh, P. Weinberger, Phys. Rev. B 52, 8807 (1995)

    Article  Google Scholar 

  11. D. Brömmel, W. Frings, B.J.N. Wylie, JUQUEEN Extreme Scaling Workshop 2017. Technical report (2017)

    Google Scholar 

  12. E. Feldtkeller, IEEE Trans. Magn. 53, 1 (2017)

    Article  Google Scholar 

  13. N. Kanazawa, S. Seki, Y. Tokura, Adv. Mater. 29, 1603227 (2017)

    Article  Google Scholar 

  14. N. Kanazawa, Y. Onose, T. Arima, D. Okuyama, K. Ohoyama, S. Wakimoto, K. Kakurai, S. Ishiwata, Y. Tokura, Phys. Rev. Lett. 106, 156603 (2011)

    Article  Google Scholar 

  15. N. Kanazawa, J.H. Kim, D.S. Inosov, J.S. White, N. Egetenmeyer, J.L. Gavilano, S. Ishiwata, Y. Onose, T. Arima, B. Keimer, Y. Tokura, Phys. Rev. B 86, 134425 (2012)

    Article  Google Scholar 

  16. S.V. Grigoriev, N.M. Potapova, S.A. Siegfried, V.A. Dyadkin, E.V. Moskvin, V. Dmitriev, D. Menzel, C.D. Dewhurst, D. Chernyshov, R.A. Sadykov, L.N. Fomicheva, A.V. Tsvyashchenko, Phys. Rev. Lett. 110, 207201 (2013)

    Article  Google Scholar 

  17. N. Martin, M. Deutsch, F. Bert, D. Andreica, A. Amato, P. Bonfà, R. De Renzi, U.K. Rößler, P. Bonville, L.N. Fomicheva, A.V. Tsvyashchenko, I. Mirebeau, Phys. Rev. B 93, 174405 (2016)

    Article  Google Scholar 

  18. A. Fert, N. Reyren, V. Cros, Nat. Rev. Mater. 2, 17031 (2017)

    Article  Google Scholar 

  19. E. Altynbaev, S.A. Siegfried, E. Moskvin, D. Menzel, C. Dewhurst, A. Heinemann, A. Feoktystov, L. Fomicheva, A. Tsvyashchenko, S. Grigoriev, Phys. Rev. B 94, 174403 (2016)

    Article  Google Scholar 

  20. T. Koretsune, N. Nagaosa, R. Arita, Sci. Rep. 5, 13302 (2015)

    Article  Google Scholar 

  21. A. Yaouanc, P. Dalmas de Réotier, A. Maisuradze, B. Roessli, Phys. Rev. B 95, 174422 (2017)

    Google Scholar 

  22. O.L. Makarova, A.V. Tsvyashchenko, G. Andre, F. Porcher, L.N. Fomicheva, N. Rey, I. Mirebeau, Phys. Rev. B 85, 205205 (2012)

    Article  Google Scholar 

  23. U.K. Rößler, J. Phys.: Conf. Ser. 391, 012104 (2012)

    Google Scholar 

  24. M.J. Stolt, X. Sigelko, N. Mathur, S. Jin, Chem. Mater. 30, 1146 (2018)

    Article  Google Scholar 

  25. V.A. Chizhikov, V.E. Dmitrienko, Phys. Rev. B 88, 214402 (2013)

    Article  Google Scholar 

Download references

Acknowledgements

The authors gratefully acknowledge the Gauss Centre for Supercomputing e.V. (www.gauss-centre.eu) for funding this project by providing computing time through the project GCS-KKRN on the GCS Supercomputer Hazel Hen at Höchstleistungsrechenzentrum Stuttgart (HLRS).

Author information

Authors and Affiliations

  1. Peter Grünberg Institut and (PGI-1) and Institute for Advanced Simulation (IAS-1), Forschungszentrum Jülich, 52425, Jülich, Germany

    Marcel Bornemann & Stefan Blügel

  2. Peter Grünberg Institut and (PGI-1) and Institute for Advanced Simulation (IAS-1), RWTH Aachen University, 52056, Aachen, Germany

    Marcel Bornemann

  3. Jülich Supercomputing Centre, Forschungszentru Jülich, 52425, Jülich, Germany

    Paul F. Baumeister

  4. Institute for Advanced Simulation (IAS-1), Forschungszentrum Jülich, 52425, Jülich, Germany

    Rudolf Zeller

Authors
  1. Marcel Bornemann
    View author publications

    You can also search for this author in PubMed Google Scholar

  2. Paul F. Baumeister
    View author publications

    You can also search for this author in PubMed Google Scholar

  3. Rudolf Zeller
    View author publications

    You can also search for this author in PubMed Google Scholar

  4. Stefan Blügel
    View author publications

    You can also search for this author in PubMed Google Scholar

Corresponding author

Correspondence to Marcel Bornemann .

Editor information

Editors and Affiliations

  1. Zentrum für Informationsdienste und Hochleistungsrechnen (ZIH), Technische Universität Dresden, Dresden, Germany

    Wolfgang E. Nagel

  2. Abteilung für Angewandte Mathematik, Universität Freiburg, Freiburg, Germany

    Dietmar H. Kröner

  3. Höchstleistungsrechenzentrum Stuttgart (HLRS), Universität Stuttgart, Stuttgart, Germany

    Michael M. Resch

Rights and permissions

Reprints and permissions

Copyright information

© 2019 Springer Nature Switzerland AG

About this paper

Check for updates. Verify currency and authenticity via CrossMark

Cite this paper

Bornemann, M., Baumeister, P.F., Zeller, R., Blügel, S. (2019). KKRnano: Quantum Description of Skyrmions in Chiral B20 Magnets. In: Nagel, W., Kröner, D., Resch, M. (eds) High Performance Computing in Science and Engineering ' 18. Springer, Cham. https://doi.org/10.1007/978-3-030-13325-2_31

Download citation

Publish with us

Policies and ethics

Search

Navigation