Related Experiment Video
Updated: Aug 28, 2026

Comparison of Two Different Synthesis Methods of Single Crystals of Superconducting Uranium Ditelluride
Published on: July 8, 2021
Hidden tellurium speciation resolves the paradox of infinite Te chains in LaCu x Te2
Yihao Wang1,2, Thomas S Ie2, Clayton Halbert3
1Materials Science Division, Argonne National Laboratory Lemont Illinois 60439 USA m-kanatzidis@northwestern.edu.
Abstract:
Low-dimensional polytellurides are of broad interest because their flexible bonding gives rise to unusual electronic states, structural instabilities, and transport phenomena, yet their average crystal structures can obscure the local tellurium motifs that actually control these properties. The electronic character of LnCu x Te2 (Ln = lanthanide) remains unresolved because electronic structure calculations based on the average crystal structure predict metallic behavior, whereas experiments consistently show semiconducting transport. Here we examine this discrepancy in LaCu x Te2 by combining low-temperature single-crystal X-ray diffraction, total-scattering analysis, electrical transport measurements, high-pressure studies, and first-principles calculations. Single-crystal diffraction at 100 K reveals an incommensurately modulated structure that is absent at room temperature, and X-ray total scattering indicates local unit-cell tripling along the direction of the apparent linear Te chains. These results show that the crystallographic infinite chain is not a real chemical entity but an average motif that masks locally distorted Te arrangements. In this picture, the anomalous transport of LaCu x Te2 is linked to chain distortion and structural disorder rather than to an idealized delocalized Te chain electronic state. Consistent with this interpretation, LaCu x Te2 exhibits semiconducting behavior over the full temperature range studied, variable-range hopping at low temperature, and quasi-linear nonsaturating magnetoresistance attributable to spatially inhomogeneous carrier mobility. Under pressure, the room-temperature structure remains unchanged and the charge transport activation energy decreases, yet metallic behavior does not emerge. Together, these results reconcile the apparent conflict between ideal-chain calculations and experiment, demonstrating that hidden local distortion within an average one-dimensional tellurium motif governs the electronic behavior of LaCu x Te2.
More Related Videos
10:42Combining Solid-state and Solution-based Techniques: Synthesis and Reactivity of Chalcogenidoplumbates(II or IV)
Published on: December 29, 2016
09:06Visualizing Uniaxial-strain Manipulation of Antiferromagnetic Domains in Fe1+YTe Using a Spin-polarized Scanning Tunneling Microscope
Published on: March 24, 2019
Related Concept Videos
Predicting Molecular Geometry
Electron Configuration of Multielectron Atoms
Crystal Field Theory - Tetrahedral and Square Planar Complexes
Crystal field theory (CFT) is applicable to molecules in geometries other than octahedral. In octahedral complexes, the lobes of the dx2−y2 and dz2 orbitals point directly at the ligands. For tetrahedral complexes, the d orbitals remain in place, but with only four ligands located between the axes. None of the orbitals points directly at the tetrahedral ligands. However, the dx2−y2 and dz2 orbitals (along the Cartesian axes) overlap with the ligands less than the dxy,...
Valence Bond Theory
Ionic Crystal Structures
Most monatomic ions behave as charged spheres, and their attraction for ions of opposite charge is the same in every direction. Consequently, stable structures for ionic compounds result (1) when ions of one charge are surrounded by as many ions as possible of the opposite...
Crystal Field Theory - Octahedral Complexes
To explain the observed behavior of transition metal complexes (such as colors), a model involving electrostatic interactions between the electrons from the ligands and the electrons in the unhybridized d orbitals of the central metal atom has been developed. This electrostatic model is crystal field theory (CFT). It helps to understand, interpret, and predict the colors, magnetic behavior, and some structures of coordination compounds of transition metals.
CFT focuses on...