Terahertz Vibrational Dynamics and DFT Calculations for the Quantum Spin Chain Linarite, PbCuSO4(OH)2.

The low-dimensional quantum-magnet, linarite, PbCuS4(OH)2, has been investigated using terahertz (THz) spectroscopy coupled with detailed density functional theory (DFT) calculations in order to explore the effects of the temperature on its lattice vibrations. Linarite is characterized by largely isolated CuO chains propagating along the crystallographic b-axis, which at very low temperatures are responsible for exotic, quasi-1D magnetism in this material. To better understand the synergy between the structural bonds and lattice oscillations that contribute to these chains, polarized THz spectroscopic measurements were performed. Consolidating these results with detailed DFT calculations has revealed that the anisotropic vibrational motion for the THz modes is correlated with extreme motion associated with the crystallographic b-axis. An unexpected feature observed in the infrared spectrum is attributed to subtle lattice distortions which break the centro-symmetry in linarite at high temperatures. This phenomenon has not previously been observed in linarite and likely results from anharmonicity in lattice oscillations.

Archetypal Soft-Mode-Driven Antipolar Transition in Francisite Cu_{3}Bi(SeO_{3})_{2}O_{2}Cl.

Model materials are precious test cases for elementary theories and provide building blocks for the understanding of more complex cases. Here, we describe the lattice dynamics of the structural phase transition in francisite Cu_{3}Bi(SeO_{3})_{2}O_{2}Cl at 115 K and show that it provides a rare archetype of a transition driven by a soft antipolar phonon mode. In the high-symmetry phase at high temperatures, the soft mode is found at (0,0,0.5) at the Brillouin zone boundary and is measured by inelastic x-ray scattering and thermal diffuse scattering. In the low-symmetry phase, this soft-mode is folded back onto the center of the Brillouin zone as a result of the doubling of the unit cell, and appears as a fully symmetric mode that can be tracked by Raman spectroscopy. On both sides of the transition, the mode energy squared follows a linear behavior over a large temperature range. First-principles calculations reveal that, surprisingly, the flat phonon band calculated for the high-symmetry phase seems incompatible with the displacive character found experimentally. We discuss this unusual behavior in the context of an ideal Kittel model of an antiferroelectric transition.

Characteristic Spectral Features of Terra Preta (TP) in the 5-15 Terahertz Range.

Terra preta is a fertile anthropogenic soil found in the Amazon basin. One of the most significant differences between the terra preta and surrounding soils is that terra preta is rich in aromatic carbons. Previous infrared investigations of terra preta were reported at energies above 1000 cm-1 where many other forms of carbon also have absorption lines. No measurements have been reported below 800 cm-1, where many absorptions associated with aromatic carbons occur in the absence of aliphatic carbon lines. We employ Fourier transform infrared spectroscopy between 150 cm-1 and 500 cm-1. A comparison was made between the spectra of terra preta, several pure aromatic compounds, organic fertilizers developed to replicate terra preta and several Australian soils, some of which containing char from bushfires. The spectra in the 150-500 cm-1 range were very similar between terra preta and the organic fertilizers, while they were very different for the natural soils. These findings indicate that the content of aromatic carbons in terra preta and organic fertilizers is different than in natural soils containing the bushfire chars, but also soils produced entirely by bacterial and fungal activities. This point to the importance of the preparation conditions of the biochars, which are essential ingredients of terra preta and organic fertilizers used in this study.

Stacked-and-drawn metamaterials with magnetic resonances in the terahertz range.

We present a novel method for producing drawn metamaterials containing slotted metallic cylinder resonators, possessing strong magnetic resonances in the terahertz range. The resulting structures are either spooled to produce a 2-dimensional metamaterial monolayer, or stacked to produce three-dimensional multi-layered metamaterials. We experimentally investigate the effects of the resonator size and number of metamaterial layers on transmittance, observing magnetic resonances between 0.1 and 0.4 THz, in good agreement with simulations. Such fibers promise future applications in mass-produced stacked or woven metamaterials.