This title appears in the Scientific Report :
2018
Please use the identifier:
http://dx.doi.org/10.7566/JPSJ.87.041010 in citations.
Please use the identifier: http://hdl.handle.net/2128/22897 in citations.
Higher-dimensional Wannier Interpolation for the Modern Theory of the Dzyaloshinskii–Moriya Interaction: Application to Co-based Trilayers
Higher-dimensional Wannier Interpolation for the Modern Theory of the Dzyaloshinskii–Moriya Interaction: Application to Co-based Trilayers
We present an advanced first-principles formalism to evaluate the Dzyaloshinskii–Moriya interaction (DMI) in its modern theory as well as Berry curvatures in complex spaces based on a higher-dimensional Wannier interpolation. Our method is applied to the Co-based trilayer systems IrδPt1−δ/Co/Pt and...
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Personal Name(s): | Hanke, Jan-Philipp (Corresponding author) |
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Freimuth, Frank / Blügel, Stefan / Mokrousov, Yuriy | |
Contributing Institute: |
Quanten-Theorie der Materialien; IAS-1 JARA - HPC; JARA-HPC JARA-FIT; JARA-FIT Quanten-Theorie der Materialien; PGI-1 |
Published in: | Journal of the Physical Society of Japan, 87 (2018) 4, S. 041010 |
Imprint: |
Tokyo
The Physical Society of Japan
2018
|
DOI: |
10.7566/JPSJ.87.041010 |
Document Type: |
Journal Article |
Research Program: |
Topological transport in real materials from ab initio Controlling Configuration-Based Phenomena Controlling Spin-Based Phenomena |
Link: |
OpenAccess Restricted OpenAccess Restricted |
Publikationsportal JuSER |
Please use the identifier: http://hdl.handle.net/2128/22897 in citations.
We present an advanced first-principles formalism to evaluate the Dzyaloshinskii–Moriya interaction (DMI) in its modern theory as well as Berry curvatures in complex spaces based on a higher-dimensional Wannier interpolation. Our method is applied to the Co-based trilayer systems IrδPt1−δ/Co/Pt and AuγPt1−γ/Co/Pt, where we gain insights into the correlations between the electronic structure and the DMI, and we uncover prominent sign changes of the chiral interaction with the overlayer composition. Beyond the discussed phenomena, the scope of applications of our Wannier-based scheme is particularly broad as it is ideally suited to study efficiently the Hamiltonian evolution under the slow variation of very general parameters. |