Mixed tellurides Ni3-xGaTe2 (0 ≤ x ≤ 0.65): Crystal and electronic structures, properties, and nickel deficiency effects on vacancy ordering

Anna A. Isaeva, Olga N. Makarevich, Alexey N. Kuznetsov, Thomas Doert, Artem M. Abakumov, Gustaaf Van Tendeloo

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10 Citations (Scopus)

Abstract

The Ni3-xGaTe2 series of compounds (0 ≤ x ≤ 0.65) was synthesized by a high-temperature ceramic technique at 750 °C. Crystal structures of three compounds in the series were determined by X-ray powder diffraction: Ni2.98(1)GaTe2 (RI = 0.042, Rp = 0.023, Rwp = 0.035), Ni2.79(1)GaTe 2 (RI = 0.053, Rp = 0.028, Rwp = 0.039), Ni2.58(1)GaTe2 (RI = 0.081, R p = 0.037, Rwp = 0.056); the structures were verified by electron diffraction and, for the former compound, high-resolution electron microscopy. The compounds crystallize in a hexagonal lattice with P 63/mmc, and the structures can be regarded as a hexagonal close-packed array with a -Ga-Te-Te- stacking sequence. The octahedral and trigonal bipyramidal voids in the hcp structure are selectively filled with Ni atoms to form one entirely occupied and two partially occupied sites, thus allowing variations in the nickel content in the series of compounds Ni 3-xGaTe2 (0 ≤ x ≤ 0.65). A superstructure with asup = 2asub (P63/mmc) has been identified for Ni3-xGaTe2 (0.5 ≤ x ≤ 0.65) by electron diffraction. Real-space, high-resolution images confirm an ordering of Ni atoms and vacancies in the ab plane. Quantum-chemical calculations performed for Ni 3-xGaTe2 (x = 0, 0.25, 0.75, 1) suggest anisotropic metallic conductivity and Pauli paramagnetic behavior that are experimentally confirmed for Ni3GaTe2.

Original languageEnglish
Pages (from-to)1395-1404
Number of pages10
JournalEuropean Journal of Inorganic Chemistry
Issue number9
DOIs
Publication statusPublished - 2010
Externally publishedYes

Keywords

  • Electron microscopy
  • Layered compounds
  • NiAs derivatives
  • Nickel chalcogenides
  • Subvalent compounds

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