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Orbital-selective Mott phases of a one-dimensional three-orbital Hubbard model studied using computational techniques...

Publication Type
Journal
Journal Name
Physical Review E
Publication Date
Page Number
963313
Volume
93
Issue
6

Arecentlyintroducedone-dimensionalthree-orbitalHubbardmodeldisplaysorbital-selectiveMottphaseswithexoticspinarrangementssuchasspinblockstates[J.Rinc´onetal.,Phys.Rev.Lett.112,106405(2014)].Inthispublicationweshowthattheconstrained-pathquantumMonteCarlo(CPQMC)techniquecanaccuratelyreproducethephasediagramofthismultiorbitalone-dimensionalmodel,pavingthewaytofutureCPQMCstudiesinsystemswithmorechallenginggeometries,suchasladdersandplanes.ThesuccessofthisapproachreliesonusingtheHartree-FocktechniquetopreparethetrialstatesneededinCPQMC.Wealsostudyasimplifiedversionofthemodelwherethepair-hoppingtermisneglectedandtheHundcouplingisrestrictedtoitsIsingcomponent.Thecorrespondingphasediagramsareshowntobeonlymildlya ectedbytheabsenceofthesetechnicallydiÿcult-to-implementterms.ThisisconfirmedbyadditionalDensityMatrixRenormalizationGroupandDeterminantQuantumMonteCarlocalculationscarriedoutforthesamesimplifiedmodel,withthelatterdisplayingonlymildFermionsignproblems.Weconcludethatthesemethodsareabletocapturequantitativelytherichphysicsoftheseveralorbital-selectiveMottphases(OSMP)displayedbythismodel,thusenablingcomputationalstudiesoftheOSMPregimeinhigherdimensions,beyondstaticordynamicmeanfieldapproximations.