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Title: Magnetic and electrode properties, structure and phase relations of the layered triangular-lattice tellurate Li{sub 4}NiTeO{sub 6}

We examined the magnetic properties of layered oxide Li{sub 4}NiTeO{sub 6} by magnetic susceptibility, magnetization and ESR measurements and density functional calculations, and characterized phase relations, crystal structure and electrochemical properties of Li{sub 4}NiTeO{sub 6}. 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 LiNiTeO{sub 6} layers in Li{sub 4}NiTeO{sub 6} are strongly spin frustrated. The electrochemical charging of Li{sub 4}NiTeO{sub 6} takes place at constant potential of ca. 4.2 V vs. Li/Li{sup +} indicating two-phase process as confirmed by X-rays. The starting phase is only partially recovered on discharge due to side reactions. - Graphical abstract: No long-range magnetic order due to frustration in 2D triangular lattice antiferromagnet Li{sub 4}NiTeO{sub 6}. - Highlights: • Li{sub 4}NiTeO{sub 6} 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{sup +}. • The electrochemical charge–discharge is onlymore » partially reversible. • Li{sub 2}O–NiO{sub y}–TeO{sub x} phase relations are reported; Li{sub 4}NiTeO{sub 6} is essentially stoichiometric.« less
Authors:
 [1] ; ;  [2] ;  [3] ;  [4] ;  [5] ; ;  [2] ;  [5] ;  [6] ;  [5] ;  [1] ;  [7] ;  [7] ;  [8]
  1. Faculty of Physics, Moscow State University, 119991 Moscow (Russian Federation)
  2. Chemistry Faculty, Southern Federal University, 344090 Rostov-on-Don (Russian Federation)
  3. Department of Chemistry and Research Institute for Basic Sciences, Kyung Hee University, Seoul 130-701 (Korea, Republic of)
  4. Department of Chemistry, North Carolina State University, Raleigh, NC 27695-8204 (United States)
  5. Institute of Chemistry, Saratov State University, 410012 Saratov (Russian Federation)
  6. Faculty of Physics, Southern Federal University, 344090 Rostov-on-Don (Russian Federation)
  7. (Russian Federation)
  8. Leibniz Institute for Solid State and Materials Research IFW Dresden, D-01069 Dresden (Germany)
Publication Date:
OSTI Identifier:
22475581
Resource Type:
Journal Article
Resource Relation:
Journal Name: Journal of Solid State Chemistry; Journal Volume: 225; Other Information: Copyright (c) 2014 Elsevier Science B.V., Amsterdam, The Netherlands, All rights reserved.; Country of input: International Atomic Energy Agency (IAEA)
Country of Publication:
United States
Language:
English
Subject:
37 INORGANIC, ORGANIC, PHYSICAL AND ANALYTICAL CHEMISTRY; ANTIFERROMAGNETISM; CRYSTAL STRUCTURE; DENSITY FUNCTIONAL METHOD; ELECTROCHEMISTRY; ELECTRON SPIN RESONANCE; EXCHANGE INTERACTIONS; EXTRACTION; LAYERS; LITHIUM COMPOUNDS; LITHIUM IONS; LITHIUM OXIDES; MAGNETIC SUSCEPTIBILITY; MAGNETIZATION; MAGNETS; NICKEL COMPOUNDS; NICKEL OXIDES; SPIN; SPIN EXCHANGE; TELLURIUM OXIDES; X RADIATION