Related Experiment Video
Updated: Mar 2, 2026
Visualizing Uniaxial-strain Manipulation of Antiferromagnetic Domains in Fe1+YTe Using a Spin-polarized Scanning Tunneling Microscope
Published on: March 24, 2019
Structural and Magnetic Properties of the Trirutile-type 1D-Heisenberg Anti-Ferromagnet CuTa2O6
Aleksandr Golubev1, Robert E Dinnebier1, Armin Schulz1
1Max Planck Institute for Solid State Research , Heisenbergstrasse 1, D-70569 Stuttgart, Germany.
Abstract:
We prepared trirutile-type polycrystalline samples of CuTa2O6 by low-temperature decomposition of a Cu-Ta-oxalate precursor. Diffraction studies at room temperature identified a slight monoclinic distortion of the hitherto surmised tetragonal trirutile crystal structure. Detailed high-temperature X-ray and neutron powder diffraction investigations as well as Raman scattering spectroscopy revealed a structural phase transition at 503(3) K from the monoclinic structure to the tetragonal trirutile structure. GGA+U density functional calculations of the spin-exchange parameters as well as magnetic susceptibility and isothermal magnetization measurements reveal that CuTa2O6 is a new 1D Heisenberg magnet with predominant anti-ferromagnetic nearest-neighbor intrachain spin-exchange interaction of ∼50 K. Interchain exchange is a factor of ∼5 smaller. Heat capacity and low-temperature high-intensity neutron powder diffraction studies could not detect long-range order down to 0.45 K.
Related Concept Videos
02:42Ionic 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...
03:02Colors and Magnetism
When atoms or molecules absorb light at the proper frequency, their electrons are excited to higher-energy orbitals. For many main group atoms and molecules, the absorbed photons are in the ultraviolet range of the electromagnetic spectrum, which cannot be detected by the human eye. For coordination compounds, the energy difference between the d orbitals often allows photons in the visible range to be absorbed and emitted, which is seen as colors by the human...
02:58Crystal 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...
02:46Crystal 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,...
02:42Valence Bond Theory
01:18Aromatic Hydrocarbon Cations: Structural Overview
Removing one hydrogen from the intervening CH2 group...