Magnetic and electrode properties, structure and phase relations of the layered triangular-lattice tellurate Li4NiTeO6

• Li4NiTeO6 is 2D triangular lattice magnet with no long-range order down to 1.8 K.
• Intralayer exchange interactions are antiferromagnetic and strongly spin frustrated.
• The electrochemical Li extraction proceeds in a two-phase mode at 4.2 V vs. Li/Li+.
• The electrochemical charge–discharge is only partially reversible.
• Li2O–NiOy–TeOx phase relations are reported; Li4NiTeO6 is essentially stoichiometric.

We examined the magnetic properties of layered oxide Li4NiTeO6 by magnetic susceptibility, magnetization and ESR measurements and density functional calculations, and characterized phase relations, crystal structure and electrochemical properties of Li4NiTeO6. The magnetization and ESR data indicate the absence of a long-range magnetic order down to 1.8 K, and the magnetic susceptibility data the presence of dominant antiferromagnetic interactions. These observations are well accounted for by density functional calculations, which show that the spin exchanges of the LiNiTeO6 layers in Li4NiTeO6 are strongly spin frustrated. The electrochemical charging of Li4NiTeO6 takes place at constant potential of ca. 4.2 V vs. Li/Li+ indicating two-phase process as confirmed by X-rays. The starting phase is only partially recovered on discharge due to side reactions.

No long-range magnetic order due to frustration in 2D triangular lattice antiferromagnet Li4NiTeO6.Figure optionsDownload as PowerPoint slide