Journal Article

FZJ-2017-03340

http://join2-wiki.gsi.de/foswiki/pub/Main/Artwork/join2_logo100x88.png Interplay of nematic and magnetic orders in FeSe under pressure

Scherer, D. D. (Corresponding author) ; Jacko, A. C. ; Friedrich, C.FZJ* ; Şaşıoğlu, E. ; Blügel, S.FZJ* ; Valentí, R. ; Andersen, B. M.

2017
Inst. Woodbury, NY

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Please use a persistent id in citations: http://hdl.handle.net/2128/14317  doi:10.1103/PhysRevB.95.094504

Abstract: 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.

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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)

Research Program(s):

1. 142 - Controlling Spin-Based Phenomena (POF3-142) (POF3-142)
2. 143 - Controlling Configuration-Based Phenomena (POF3-143) (POF3-143)

Appears in the scientific report 2017

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Database coverage:
; ; ; Current Contents - Physical, Chemical and Earth Sciences ; Ebsco Academic Search ; IF < 5 ; JCR ; SCOPUS ; Science Citation Index ; Science Citation Index Expanded ; Thomson Reuters Master Journal List ; Web of Science Core Collection

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