This title appears in the Scientific Report :
2017
Please use the identifier:
http://dx.doi.org/10.1103/PhysRevB.95.094504 in citations.
Please use the identifier: http://hdl.handle.net/2128/14317 in citations.
Interplay of nematic and magnetic orders in FeSe under pressure
Interplay of nematic and magnetic orders in FeSe under pressure
We offer an explanation for the recently observed pressure-induced magnetic state in the iron-chalcogenide FeSe based on ab initio estimates for the pressure evolution of the most important Coulomb interaction parameters. We find that an increase of pressure leads to an overall decrease mostly in th...
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Personal Name(s): | Scherer, Daniel D. (Corresponding author) |
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Jacko, A. C. / Friedrich, Christoph / Şaşıoğlu, Ersoy / Blügel, Stefan / Valentí, Roser / Andersen, Brian M. | |
Contributing Institute: |
Quanten-Theorie der Materialien; IAS-1 JARA - HPC; JARA-HPC JARA-FIT; JARA-FIT Quanten-Theorie der Materialien; PGI-1 |
Published in: | Physical Review B Physical review / B, 95 95 (2017 2017) 9 9, S. 094504 094504 |
Imprint: |
Woodbury, NY
Inst.
2017
|
DOI: |
10.1103/PhysRevB.95.094504 |
Document Type: |
Journal Article |
Research Program: |
Controlling Configuration-Based Phenomena Controlling Spin-Based Phenomena |
Link: |
OpenAccess OpenAccess |
Publikationsportal JuSER |
Please use the identifier: http://hdl.handle.net/2128/14317 in citations.
We offer an explanation for the recently observed pressure-induced magnetic state in the iron-chalcogenide FeSe based on ab initio estimates for the pressure evolution of the most important Coulomb interaction parameters. We find that an increase of pressure leads to an overall decrease mostly in the nearest-neighbor Coulomb repulsion, which in turn leads to a reduction of the nematic order and the generation of magnetic stripe order. We treat the concomitant effects of band renormalization and the induced interplay of nematic and magnetic order in a self-consistent way and determine the generic topology of the temperature-pressure phase diagram and find qualitative agreement with the experimentally determined phase diagram. |