TY  - JOUR
AU  - Scherer, Daniel D.
AU  - Jacko, A. C.
AU  - Friedrich, Christoph
AU  - Şaşıoğlu, Ersoy
AU  - Blügel, Stefan
AU  - Valentí, Roser
AU  - Andersen, Brian M.
TI  - Interplay of nematic and magnetic orders in FeSe under pressure
JO  - Physical review / B
VL  - 95
IS  - 9
SN  - 2469-9950
CY  - Woodbury, NY
PB  - Inst.
M1  - FZJ-2017-03340
SP  - 094504
PY  - 2017
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.
LB  - PUB:(DE-HGF)16
UR  - <Go to ISI:>//WOS:000395995800006
DO  - DOI:10.1103/PhysRevB.95.094504
UR  - https://juser.fz-juelich.de/record/829696
ER  -