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Gagor, A.; Pietraszko, A.; Kaynts, D., E-mail: a.gagor@int.pan.wroc.pl2008
AbstractAbstract
[en] The structural origin of fast copper conduction in Cu6PS5Cl single crystals is discussed. Cu6PS5Cl crystallises in the same cubic F4-bar3m symmetry as the other Cu6PS5X's, X=Cl,I,Br. However, this phase is stabilised at much lower temperatures (down to 160 K) and is characterised by higher level of disorder in copper substructure. Complex domain structure developing at low temperatures proves that Cu6PS5Cl undergoes ferroelastic phase transition (PT) associated with cubic F4-bar3m to monoclinic Cc symmetry change. The structural distortion connected with this transformation is very subtle. X-ray diffraction measurements show strong precursor phenomena below 205 K which correspond to the low temperature phase and point out to copper ordering in nano- or microscopic scale above the temperature of ferroelastic phase transition (PT). The pseudopotential based on copper joint probability density function is calculated along diffusion paths at 175 and 435 K. - Coordination of copper mobile ions in superionic phase of Cu6PS5Cl, T=435K
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S0022-4596(08)00040-6; Available from http://dx.doi.org/10.1016/j.jssc.2008.01.026; Copyright (c) 2008 Elsevier Science B.V., Amsterdam, The Netherlands, All rights reserved.; Country of input: International Atomic Energy Agency (IAEA)
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Journal Article
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CHLORIDES, COPPER COMPOUNDS, CRYSTAL-PHASE TRANSFORMATIONS, CUBIC LATTICES, DOMAIN STRUCTURE, ELECTRIC CONDUCTORS, MOBILITY, MONOCLINIC LATTICES, MONOCRYSTALS, PHOSPHIDES, PROBABILITY DENSITY FUNCTIONS, SOLID ELECTROLYTES, SULFIDES, SYMMETRY, TEMPERATURE RANGE 0065-0273 K, TEMPERATURE RANGE 0273-0400 K, TEMPERATURE RANGE 0400-1000 K, X-RAY DIFFRACTION
CHALCOGENIDES, CHLORINE COMPOUNDS, COHERENT SCATTERING, CRYSTAL LATTICES, CRYSTAL STRUCTURE, CRYSTALS, DIFFRACTION, ELECTROLYTES, FUNCTIONS, HALIDES, HALOGEN COMPOUNDS, PHASE TRANSFORMATIONS, PHOSPHORUS COMPOUNDS, PNICTIDES, SCATTERING, SULFUR COMPOUNDS, TEMPERATURE RANGE, TRANSITION ELEMENT COMPOUNDS
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