We bring together synchrotron-based infrared and Raman spectroscopies, diamond anvil cell techniques, and an analysis of frequency shifts and lattice dynamics to unveil the vibrational properties of multiwall WS2 nanotubes under compression. While most of the vibrational modes display similar hardening trends, the Raman-active A1g breathing mode is almost twice as responsive, suggesting that the nanotube breakdown pathway under strain proceeds through this displacement. At the same time, the previously unexplored high pressure infrared response provides unexpected insight into the electronic properties of the multiwall WS2 tubes. The development of the localized absorption is fit to a percolation model, indicating that the nanotubes display a modest macroscopic conductivity due to hopping from tube to tube.
We measured the optical properties of epitaxial thin films of the metastable hexagonal polymorph of LuFeO 3 by absorption spectroscopy, magnetic circular dichroism, and photoconductivity. Comparison with complementary electronic structure calculations reveals a 1.1 eV direct gap involving hybridized Fe 3d z 2 þ O 2p z ! Fe d excitations at the C and A points, with a higher energy direct gap at 2.0 eV. Both charge gaps nicely overlap the solar spectrum.
We bring together optical absorption spectroscopy, photoconductivity, and first principles calculations to reveal the electronic structure of the room temperature ferroelectric Ca3Ti2O7. The 3.94 eV direct gap in Ca3Ti2O7 is charge transfer in nature and noticeably higher than that in CaTiO3 (3.4 eV), a finding that we attribute to dimensional confinement in the n = 2 member of the Ruddlesden-Popper series. While Sr substitution introduces disorder and broadens the gap edge slightly, oxygen deficiency reduces the gap to 3.7 eV and gives rise to a broad tail that persists to much lower energies.
We combined synchrotron-based infrared and Raman spectroscopies, diamond anvil cell techniques, and first principles calculations to unveil pressure-induced distortions in quasi-onedimensional Cu(pyz)(NO3)2. The crossover at 0.7 GPa is local in nature whereas the transition at 5 GPa lowers symmetry from P mna to P 2221 and is predicted to slightly increase magnetic dimensionality. Comparison with prior magneto-infrared results reveals the striking role of out-ofplane bending of the pyrazine ligand, a finding that we discuss in terms of the possibility of using pressure to bias the magnetic quantum critical transition in this classic S = 1/2 antiferromagnet.
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