skip to main content
OSTI.GOV title logo U.S. Department of Energy
Office of Scientific and Technical Information

Title: Ni{sub 7-{delta}}SnTe{sub 2}: Modulated crystal structure refinement, electronic structure and anisotropy of electroconductivity

Abstract

Single crystals of Ni{sub 7-{delta}}SnTe{sub 2} were grown during re-crystallization of the presynthesized powder in a two zone furnace. The modulated structure was solved and refined in the (3+2)-dimensional superspace group I4/mmm(0-{alpha}0, {alpha}00)0.ss.mm with lattice parameters a=3.759(1) and c=19.410(2)A (measured at 153K) and Z=2. Satellite reflections observed in the diffraction images can be assigned to the incommensurate modulation vectors q{sub 1}=da* and q{sub 2}=db* with d=0.410(1). The composition resulting from X-ray structure refinement is Ni{sub 5.81}SnTe{sub 2}. The structure model has been also developed in the orthorhombic (3+1)-dimensional superspace group Immm({alpha}00)00s assuming twinning according to [110], giving thus the composition Ni{sub 5.79}SnTe{sub 2}. The origin of the modulation can be attributed to a variation of the occupancy of the Ni(3) site in Ni/Te slabs of the structure. Band structure calculations on a commensurate approximant and single crystal electrical resistivity measurements reveal anisotropic metallic conductivity for this compound.

Authors:
 [1];  [2];  [3];  [4];  [5];  [5];  [5];  [6]
  1. Department of Materials Science, Moscow State University, Leninskie Gory, Moscow 119992, GSP-2 (Russian Federation)
  2. Max Planck Institute for Chemical Physics of Solids, Noethnitzer Strasse, 40, 01187 Dresden (Germany)
  3. Institute of Inorganic Chemistry, Dresden University of Technology, 01062 Dresden (Germany)
  4. Department of Chemistry, Moscow State University, Leninskie Gory, Moscow 119992, GSP-2 (Russian Federation), E-mail: popovkin@inorg.chem.msu.ru
  5. Department of Physics, Moscow State University, Leninskie Gory, Moscow 119992, GSP-2 (Russian Federation)
  6. Department of Chemistry, Moscow State University, Leninskie Gory, Moscow 119992, GSP-2 (Russian Federation)
Publication Date:
OSTI Identifier:
21015641
Resource Type:
Journal Article
Resource Relation:
Journal Name: Journal of Solid State Chemistry; Journal Volume: 180; Journal Issue: 1; Other Information: DOI: 10.1016/j.jssc.2006.09.003; PII: S0022-4596(06)00505-6; Copyright (c) 2006 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; ANISOTROPY; CHALCOGENIDES; CHEMICAL BONDS; CRYSTALLIZATION; DIFFRACTION; ELECTRIC CONDUCTIVITY; ELECTRONIC STRUCTURE; LATTICE PARAMETERS; MONOCRYSTALS; ORTHORHOMBIC LATTICES; POWDERS; TETRAGONAL LATTICES; TWINNING

Citation Formats

Isaeva, A.A., Baranov, A.I., Doert, Th., Popovkin, B.A., Kulbachinskii, V.A., Gurin, P.V., Kytin, V.G., and Shtanov, V.I. Ni{sub 7-{delta}}SnTe{sub 2}: Modulated crystal structure refinement, electronic structure and anisotropy of electroconductivity. United States: N. p., 2007. Web. doi:10.1016/j.jssc.2006.09.003.
Isaeva, A.A., Baranov, A.I., Doert, Th., Popovkin, B.A., Kulbachinskii, V.A., Gurin, P.V., Kytin, V.G., & Shtanov, V.I. Ni{sub 7-{delta}}SnTe{sub 2}: Modulated crystal structure refinement, electronic structure and anisotropy of electroconductivity. United States. doi:10.1016/j.jssc.2006.09.003.
Isaeva, A.A., Baranov, A.I., Doert, Th., Popovkin, B.A., Kulbachinskii, V.A., Gurin, P.V., Kytin, V.G., and Shtanov, V.I. Mon . "Ni{sub 7-{delta}}SnTe{sub 2}: Modulated crystal structure refinement, electronic structure and anisotropy of electroconductivity". United States. doi:10.1016/j.jssc.2006.09.003.
@article{osti_21015641,
title = {Ni{sub 7-{delta}}SnTe{sub 2}: Modulated crystal structure refinement, electronic structure and anisotropy of electroconductivity},
author = {Isaeva, A.A. and Baranov, A.I. and Doert, Th. and Popovkin, B.A. and Kulbachinskii, V.A. and Gurin, P.V. and Kytin, V.G. and Shtanov, V.I.},
abstractNote = {Single crystals of Ni{sub 7-{delta}}SnTe{sub 2} were grown during re-crystallization of the presynthesized powder in a two zone furnace. The modulated structure was solved and refined in the (3+2)-dimensional superspace group I4/mmm(0-{alpha}0, {alpha}00)0.ss.mm with lattice parameters a=3.759(1) and c=19.410(2)A (measured at 153K) and Z=2. Satellite reflections observed in the diffraction images can be assigned to the incommensurate modulation vectors q{sub 1}=da* and q{sub 2}=db* with d=0.410(1). The composition resulting from X-ray structure refinement is Ni{sub 5.81}SnTe{sub 2}. The structure model has been also developed in the orthorhombic (3+1)-dimensional superspace group Immm({alpha}00)00s assuming twinning according to [110], giving thus the composition Ni{sub 5.79}SnTe{sub 2}. The origin of the modulation can be attributed to a variation of the occupancy of the Ni(3) site in Ni/Te slabs of the structure. Band structure calculations on a commensurate approximant and single crystal electrical resistivity measurements reveal anisotropic metallic conductivity for this compound.},
doi = {10.1016/j.jssc.2006.09.003},
journal = {Journal of Solid State Chemistry},
number = 1,
volume = 180,
place = {United States},
year = {Mon Jan 15 00:00:00 EST 2007},
month = {Mon Jan 15 00:00:00 EST 2007}
}