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Phonon spectrum of cubic barium zirconate is calculated from first principles using the density functional theory. Unstable phonon mode with the $R_{25}$ symmetry in the phonon spectrum indicates an instability of the cubic structure with…
We present a linearized shear-transformation-zone (STZ) theory of glassy dynamics in which the internal STZ transition rates are characterized by a broad distribution of activation barriers. For slowly aging or fully aged systems, the main…
Slow motion movies are not only fascinating to watch, they also allow us to see intricate details of the mechanical dynamics of complex phenomena. If the images in each frame are replaced by terahertz (THz) waves, such movies can monitor…
Electronic instabilities in transition metal compounds often spontaneously form orbital molecules, which consist of orbital-coupled metal ions at low temperature. Recent local structural studies utilizing the pair distribution function…
The structural motifs of a Zr$_{50}$Cu$_{45}$Al$_{5}$ metallic glass were learned from atomistic models using a new structure analysis method called motif extraction that employs point-pattern matching and machine learning clustering…
Metal organic framework (MOF) materials in general, and MOF-74 in particular, have promising properties for many technologically important processes. However, their instability under humid conditions severely restricts practical use. We…
We demonstrate terahertz (THz) harmonic generation across the Mott insulator-metal transition in rare-earth nickelates (RNiO$_3$, R = rare-earth atom). The THz harmonic generation is observed in all the three different phases with distinct…
We investigate the effects of W incorporation into Cu-Zr thin film metallic glasses using molecular dynamics (MD) simulations combined with magnetron sputtering. All studies are carried out in the whole range of W concentrations (0 to 100…
We observe a terahertz radiation from a hydrogen-bonded organic molecular ferroelectric 5,6-dichloro-2-methylbenzimidazole excited by a femtosecond laser pulse at room temperature. The emitted terahertz wave consists of three oscillatory…
Recently, there have been significant advancements in the study of Metal-Organic Frameworks (MOFs), particularly in the discovery of glassy states in zeolitic imidazolate frameworks (ZIFs), a subset of MOFs. However, the correlation between…
A tunable far-infrared laser sideband spectrometer was used to investigate a nitric oxide sample enriched in 18O between 0.99 and 4.75 THz. Regular, electric dipole transitions were recorded between 0.99 and 2.52 THz, while magnetic dipole…
Density functional plus dynamical mean field calculations are used to show that in transition metal oxides, rotational and tilting (GdFeO$_3$-type) distortions of the ideal cubic perovskite structure produce a multiplicity of low-energy…
On-surface metal porphyrins can undergo electronic and conformational changes that play a crucial role in determining the chemical reactivity of the molecular layer. Therefore, understanding those properties is pivotal for the design and…
Phononic engineering at gigahertz (GHz) frequencies form the foundation of microwave acoustic filters, acousto-optic modulators, and quantum transducers. Terahertz (THz) phononic engineering could lead to acoustic filters and modulators at…
Terahertz Raman spectroscopy was performed on high-mobility organic single-crystal semiconductors, by which the phonon energy at the Gamma point was qualified as a function of external uniaxial strain. The observation of peak shifts in…
The terahertz (THz) frequency range is key to study collective excitations in many crystals and organic molecules. However, due to the large wavelength of THz radiation, the local probing of these excitations in smaller crystalline…
Arising from modulation instability, Turing rolls in optical Kerr microresonators have been used in the generation of optical frequency combs and the synthesis of microwave and terahertz frequencies. In this work, by applying electro-optic…
We report on THz time-domain spectroscopy on multiferroic GeV4S8, which undergoes orbital ordering at a Jahn-Teller transition at 30.5 K and exhibits antiferromagnetic order below 14.6 K. The THz experiments are complemented by dielectric…
We theoretically and numerically study the terahertz auto oscillations in thin-film metallic non-collinear coplanar antiferromagnets (AFMs), such as $\mathrm{Mn_{3}Sn}$ and $\mathrm{Mn_{3}Ir}$, under the effect of anti-damping spin-torque…
The very good performance of modern density functional theory for molecular geometries and harmonic vibrational frequencies has been well established. We investigate the performance of density functional theory (DFT) for quartic force…