Interplay of nematic and magnetic orders in FeSe under pressure

Daniel Scherer; Anthony Jacko; Christoph Friedrich; Ersoy Sasioglu; Stefan Blugel; Roser Valenti; Brian Møller Andersen

doi:10.1103/PhysRevB.95.094504

Interplay of nematic and magnetic orders in FeSe under pressure

Daniel Scherer, Anthony Jacko, Christoph Friedrich, Ersoy Sasioglu, Stefan Blugel, Roser Valenti, Brian Møller Andersen

Xray and Neutron Science

22 Citations (Scopus)

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.

Original language	English
Article number	094504
Journal	Physical Review B
Volume	95
ISSN	2469-9950
DOIs	https://doi.org/10.1103/PhysRevB.95.094504
Publication status	Published - 7 Mar 2017

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PhysRevB.95.094504Final published version, 925 KB

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title = "Interplay of nematic and magnetic orders in FeSe under pressure",

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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T1 - Interplay of nematic and magnetic orders in FeSe under pressure

AU - Scherer, Daniel

AU - Jacko, Anthony

AU - Friedrich, Christoph

AU - Sasioglu, Ersoy

AU - Blugel, Stefan

AU - Valenti, Roser

AU - Andersen, Brian Møller

PY - 2017/3/7

Y1 - 2017/3/7

N2 - 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.

AB - 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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DO - 10.1103/PhysRevB.95.094504

M3 - Journal article

SN - 2469-9950

VL - 95

JO - Physical Review B

JF - Physical Review B

M1 - 094504

ER -

Interplay of nematic and magnetic orders in FeSe under pressure

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