Coexisting charge density wave and ferromagnetic instabilities in monolayer InSe  

作　　者：Evgeny A.Stepanov Viktor Harkov Malte Rösner Alexander I.Lichtenstein Mikhail I.Katsnelson Alexander N.Rudenko 

机构地区：[1]CPHT,CNRS,Ecole Polytechnique,Institut Polytechnique de Paris,F-91128,Palaiseau,France [2]I.Institute of Theoretical Physics,University of Hamburg,Notkestraße 9,22607,Hamburg,Germany [3]European X-Ray Free-Electron Laser Facility,Holzkoppel 4,22869,Schenefeld,Germany [4]Radboud University,Institute for Molecules and Materials,6525AJ,Nijmegen,The Netherlands [5]The Hamburg Centre for Ultrafast Imaging,Luruper Chaussee 149,22761,Hamburg,Germany

出　　处：《npj Computational Materials》2022年第1期1101-1109,共9页计算材料学（英文）

基　　金：The work of E.A.S.was supported by the European Union’s Horizon 2020 Research and Innovation programme under the Marie Skłodowska Curie grant agreement No.839551-2DMAGICS;The work of M.I.K.,A.N.R.,and A.I.L.was supported by European Research Council via Synergy Grant 854843-FASTCORR;V.H.and A.I.L.acknowledge the support by the Cluster of Excellence“Advanced Imaging of Matter”of the Deutsche Forschungsgemeinschaft(DFG)-EXC 2056-Project No.ID390715994;E.A.S.,V.H.,and A.I.L.also acknowledge the support by North-German Supercomputing Alliance(HLRN)under the Project No.hhp00042.

摘　　要：Recently fabricated InSe monolayers exhibit remarkable characteristics that indicate the potential of this material to host a number of many-body phenomena.In this work,we systematically describe collective electronic effects in hole-doped InSe monolayers using advanced many-body techniques.To this end,we derive a realistic electronic-structure model from first principles that takes into account the most important characteristics of this material,including a flat band with prominent van Hove singularities in the electronic spectrum,strong electron–phonon coupling,and weakly screened long-ranged Coulomb interactions.We calculate the temperature-dependent phase diagram as a function of band filling and observe that this system is in a regime with coexisting charge density wave and ferromagnetic instabilities that are driven by strong electronic Coulomb correlations.This regime can be achieved at realistic doping levels and high enough temperatures,and can be verified experimentally.We find that the electron–phonon interaction does not play a crucial role in these effects,effectively suppressing the local Coulomb interaction without changing the qualitative physical picture.

关 键 词：FERROMAGNETIC CHARGE WAVE 

分 类 号：O57[理学—粒子物理与原子核物理]