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Physical properties of new delafossite triangular-lattice compounds TlErSe$_2$ and TlTmSe$_2$

Abstract

Delafossite compounds containing rare-earth ions have been proven to be an ideal platform to investigate frustrated magnetic ground states. Here, we discuss two triangular-lattice antiferromagnets, TlErSe and TlTmSe, as potential candidates for hosting exotic quantum states. Powder X-ray diffraction data analysis of the black-color polycrystalline TlSe (: Er and Tm) samples confirms the phase purity. Both materials crystallize in the trigonal -NaFeO structure () with lattice parameters = 4.1070(4) Å and = 23.1472(1) Å for the erbium compound and = 4.0916(1) Å and = 23.1483(2) Å for the thulium compound. Magnetic susceptibility measurements show an effective moment of /f.u. (/f.u.) for TlErSe (TlTmSe) for temperatures above 200 K. While He specific-heat measurements reveal long-range magnetic order below K for TlErSe, no sign of long-range magnetic order was observed for TlTmSe. Based on our results, we map out the T-H phase diagram for polycrystalline TlErSe and discuss the striking difference in the magnetic behavior of TlTmSe based on our ab initio quantum chemical calculations.