The synthesis and characterization of a new layered compound with the composition (PbSe)1·16TiSe2 in thin-film form is reported in this study. The structure of the new compound was characterized by specular and in-plane synchrotron x-ray diffraction studies, which indicate that the compound can be described as a layered intergrowth of PbSe and TiSe2 in which the individual constituents are precisely layered yet rotationally (turbostratically) disordered with an average in-plane domain size in the order of 10 nm. In contrast to crystalline (PbSe)1·16(TiSe2)2 prepared by solid-state reaction at high temperature, the electrical resistivity in the range 20–300 K is nearly temperature independent. The Seebeck coefficient at room temperature was measured to be S = −66(1) μV/K at the carrier concentration of n = 2·1(5) × 1021 cm−3, indicating behavior characteristic of a heavily doped semiconductor. The electrical transport properties for the (PbSe)1·16TiSe2 compound are compared and contrasted to those of other misfi t-layered and turbostratically disordered (MX)1+δ(TX2)n compounds.
The coefficient of thermal expansion analysis suite (CTEAS) has been developed to calculate and visualize thermal expansion properties of crystalline materials in three dimensions. The software can be used to determine the independent terms of the second‐rank thermal expansion tensor using hkl values, corresponding dhkl listings and lattice constants obtained from powder X‐ray diffraction patterns collected at different temperatures. Using CTEAS, a researcher can also visualize the anisotropy of this essential material property in three dimensions. In‐depth understanding of the thermal expansion of crystalline materials can be a useful tool in understanding the dependence of the thermal properties of materials on temperature when correlated with the crystal structure.
The structure of precursors is used to control the formation of six possible structural isomers that contain four structural units of PbSe and four structural units of NbSe2: [(PbSe)1.14]4[NbSe2]4, [(PbSe)1.14]3[NbSe2]3[(PbSe)1.14]1[NbSe2]1, [(PbSe)1.14]3[NbSe2]2[(PbSe)1.14]1[NbSe2]2, [(PbSe)1.14]2[NbSe2]3[(PbSe)1.14]2[NbSe2]1, [(PbSe)1.14]2[NbSe2]2[(PbSe)1.14]1[NbSe2]1[(PbSe)1.14]1[NbSe2]1, [(PbSe)1.14]2[NbSe2]1[(PbSe)1.14]1[NbSe2]2[(PbSe)1.14]1[NbSe2]1. The electrical properties of these compounds vary with the nanoarchitecture. For each pair of constituents, over 20,000 new compounds, each with a specific nanoarchitecture, are possible with the number of structural units equal to 10 or less. This provides opportunities to systematically correlate structure with properties and hence optimize performance.
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