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Coexisting charge density wave and ferromagnetic instabilities in monolayer InSe

E. A. Stepanov, Viktor Harkov, Malte Rösner, A. I. Lichtenstein, M. I. Katsnelson, А. Н. Руденко

2022npj Computational Materials53 citationsDOIOpen Access PDF

Abstract

Abstract 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.

Topics & Concepts

Condensed matter physicsCoulombMonolayerFerromagnetismPhase diagramElectronPhononPhysicsCharge density waveCoupling (piping)DopingElectronic structurePhase (matter)Materials scienceSuperconductivityNanotechnologyQuantum mechanicsMetallurgy2D Materials and ApplicationsPerovskite Materials and ApplicationsAdvanced Thermoelectric Materials and Devices
Coexisting charge density wave and ferromagnetic instabilities in monolayer InSe | Litcius