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We investigate the microscopic mechanism of the thermally induced ambient pressure ordered-disordered phase transitions of two zeolitic imidazolate frameworks of formula Zn(C$_3$H$_3$N$_2$)$_2$: a porous (ZIF-4) and a dense, non-porous…
Terahertz (THz) spectroscopy holds transformative potential for non-invasive sensing, yet characterizing individual nanoparticles in complex biological environments remains challenging due to the far-field diffraction limit. While…
Terahertz (THz) technology is a cutting-edge scheme with various promising applications, such as next generation telecommunication, non-destructive evaluation, security check, and in-depth characterization, owing to their sensitivity to…
Multiferroicity and magnetodielectric coupling in metal-organic-frameworks (MOFs) is rare and so far restricted mainly to formate-based systems with perovskite structure. In the course of this work we designed a tetragonal framework…
Terahertz (THz) time-domain emission spectroscopy was performed on layered 2H-MoSe2 and 2H-WSe2. The THz emission shows an initial cycle attributed to surge currents and is followed by oscillations attributed to coherent interlayer phonon…
Accurate computational predictions of metal-organic frameworks (MOFs) and their properties is crucial for discovering optimal compositions and applying them in relevant technological areas. This work benchmarks density functional theory…
Chiral phonons are mirror-symmetric vibrations that correspond to twisting and rotational motions of atoms. In chiral biomolecules, they correspond to low-energy terahertz (THz)-range vibrations of the molecular segments involving dozens of…
Nonlinear terahertz (THz) spectroscopy relies on the interaction of matter with few-cycle THz pulses of electric field amplitudes up to megavolts/centimeter (MV/cm). In condensed-phase molecular systems, both resonant interactions with…
Coordination polymerization leads to various metal-organic frameworks (MOFs) in which symmetrical metal nodes exposed to nano voids lead to unique physical properties and chemical functionalities. One of the challenges towards their…
Ab initio simulations are combined with in situ infrared spectroscopy to unveil the molecular transport of H$_2$, CO$_2$, and H$_2$O in the metal organic framework MOF-74-Mg. Our study uncovers---at the atomistic level---the major factors…
We report a comprehensive theoretical analysis of the instability achievable by using phase modulation spectroscopy to lock a terahertz local oscillator to an absorptive reference consisting of the rotational transition of molecules at room…
Molecular dynamics calculations were preformed on organic crystals 4-N,N-dimethylamino-4'-N'-methyl-stilbazolium tosylate (DAST) and 4-N,N-dimethylamino-4'-N'-methylstilbazolium 2,4,6-trimethylbenzenesulfonate (DSTMS). Vibrational modes of…
We show that ZIF-4, a metal-organic framework (MOF) with a zeolitic structure, undergoes a crystal--amorphous transition on heating to 300 $^\circ$C. The amorphous form, which we term a-ZIF, is recoverable to ambient conditions or may be…
Understanding surface collective dynamics in quantum materials is crucial for advancing quantum technologies. For example, surface phonon modes in quantum paraelectrics are thought to play an essential role in facilitating interfacial…
Optical modulators are essential building blocks for high-capacity optical communication and massively parallel computing. Among all types of optical modulators, travelling-wave Mach-Zehnder modulators (TW-MZMs) featuring high speed and…
Because of their central importance in chemistry and biology, water molecules have been the subject of decades of intense spectroscopic investigations. Rotational spectroscopy of water vapor has yielded detailed information about the…
One terahertz (THz) waveguide based on 3D printed metallic photonic crystals is experimentally and numerically demonstrated in 0.1-0.6 THz, which consists of periodic metal rod arrays (MRAs). Results demonstrated that such waveguide…
Magnetic metal-organic frameworks (MMOFs), where magnetic metal nodes are connected into a crystal structure by organic linkers, have a potential to host exotic magnetic states. We present a study of bulk magnetic properties of four…
Amorphous metal-organic frameworks are an important emerging materials class that combine the attractive physical properties of the amorphous state with the versatility of metal-organic framework (MOF) chemistry. The structures of amorphous…
We report on a detailed study of the terahertz (THz) photoresistivity in a strained HgTe three-dimensional topological insulator (3D TI) for all Fermi level positions: inside the conduction and valence bands, and in the bulk gap. In the…