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The exceptional mechanical flexibility observed with certain organic crystals defies the common perception of single crystals as brittle objects. Here, we describe the morphostructural consequences of plastic deformation in crystals of hexachlorobenzene that can be bent mechanically at multiple locations to 360° with retention of macroscopic integrity. This extraordinary plasticity proceeds by segregation of the bent section into flexible layers that slide on top of each other, thereby generating domains with slightly different lattice orientations. Microscopic, spectroscopic and diffraction analyses of the bent crystal showed that the preservation of crystal integrity when stress is applied on the (001) face requires sliding of layers by breaking and re-formation of halogen–halogen interactions. Application of stress on the (100) face, in the direction where π ··· π interactions dominate the packing, leads to immediate crystal disintegration. Within a broader perspective, this study highlights the yet unrecognized extraordinary malleability of molecular crystals with strongly anisotropic supramolecular interactions. Crystals of hexachlorobenzene easily break when pressed on the (100) face, but bend to 360° without disintegrating when stress is applied on the (001) face. In the latter case this extraordinary malleability arises from the segregation and sliding of layers of molecules in the crystal, a process in which halogen–halogen interactions are broken and reformed.

Molecular crystals are not known to be as stiff as metals, composites and ceramics. Here we report an exceptional mechanical stiffness and high hardness in a known elastically bendable organic cocrystal [caffeine (CAF), 4-chloro-3-nitrobenzoic acid (CNB) and methanol (1:1:1)] which is comparable to certain low-density metals. Spatially resolved atomic level studies reveal that the mechanically interlocked weak hydrogen bond networks which are separated by dispersive interactions give rise to these mechanical properties. Upon bending, the crystals significantly conserve the overall energy by efficient redistribution of stress while perturbations in hydrogen bonds are compensated by strengthened π-stacking. Furthermore we report a remarkable stiffening and hardening in the elastically bent crystal. Hence, mechanically interlocked architectures provide an unexplored route to reach new mechanical limits and adaptability in organic crystals. This proof of concept inspires the design of light-weight, stiff crystalline organics with potential to rival certain inorganics, which currently seem inconceivable.

We have carried out detailed experimental investigations on polycrystalline CuO using dielectric constant, dc resistance, Raman spectroscopy and X-ray diffraction measurements at high pressures. Observation of anomalous changes both in dielectric constant and dielectric loss in the pressure range 3.7–4.4 GPa and reversal of piezoelectric current with reversal of poling field direction indicate to a change in ferroelectric order in CuO at high pressures. A sudden jump in Raman integrated intensity of A g mode at 3.4 GPa and observation of Curie-Weiss type behaviour in dielectric constant below 3.7 GPa lends credibility to above ferroelectric transition. A slope change in the linear behaviour of the A g mode and a minimum in the FWHM of the same indicate indirectly to a change in magnetic ordering. Since all the previous studies show a strong spin-lattice interaction in CuO, observed change in ferroic behaviour at high pressures can be related to a reentrant multiferroic ordering in the range 3.4 to 4.4 GPa, much earlier than predicted by theoretical studies. We argue that enhancement of spin frustration due to anisotropic compression that leads to change in internal lattice strain brings the multiferroic ordering to room temperature at high pressures.

Detailed high pressure Resonance Raman (RR) Spectroscopy and x-ray diffraction (XRD) studies are carried out on 3-4 layered MoSe2 obtained by liquid exfoliation. Analysis of ambient XRD pattern and RR spectra indicate the presence of a triclinic phase along with its parent hexagonal phase. Slope change in the linear behavior of reduced pressure (H) with respect to Eulerian strain (fE) is observed at about 13 GPa in hexagonal phase and at about 17 GPa for the triclinic phase. High pressure Raman measurements using two different pressure transmitting media (PTM) show three linear pressure regions, separated by pressure values around which anomalies in the structure are observed. A broad minimum in the FWHM values of E 2 g 1 mode at about 10-12 GPa indicate to an electron-phonon coupling. Above 33 GPa the sample completely gets converted to the triclinic structure, which indicates the importance of strain in structural as well as electronic properties of two dimensional materials.

Molecular crystals are not known to be as stiff as metals, composites and ceramics. Here we report an exceptional mechanical stiffness and high hardness in a known elastically bendable organic cocrystal [caffeine (CAF), 4-chloro-3-nitrobenzoic acid (CNB) and methanol (1:1:1)] which is comparable to certain low-density metals. Spatially resolved atomic level studies reveal that the mechanically interlocked weak hydrogen bond networks which are separated by dispersive interactions give rise to these mechanical properties. Upon bending, the crystals significantly conserve the overall energy by efficient redistribution of stress while perturbations in hydrogen bonds are compensated by strengthened π -stacking. Furthermore we report a remarkable stiffening and hardening in the elastically bent crystal. Hence, mechanically interlocked architectures provide an unexplored route to reach new mechanical limits and adaptability in organic crystals. This proof of concept inspires the design of light-weight, stiff crystalline organics with potential to rival certain inorganics, which currently seem inconceivable. Molecular crystals are typically less stiff than metals or ceramics. Here the authors report an organic elastically bendable co-crystal with stiffness comparable to low-density metals, hardness similar to stainless steel and reveal the molecular mechanism which lead to these mechanical properties.

ZrSe 2 exhibits a pressure-induced gradual structural phase transition from hexagonal 1T phase to a monoclinic phase, which starts around 5.9 GPa and completes around 14.8 GPa. Anomalies found in high pressure Raman measurements indicate the presence of a possible electronic phase transition mediated by the differential strain produced inside the sample.

Detailed high pressure Resonance Raman ( RR ) Spectroscopy and x-ray diffraction ( XRD ) studies are carried out on 3–4 layered MoSe 2 obtained by liquid exfoliation. Analysis of ambient XRD pattern and RR spectra indicate the presence of a triclinic phase along with its parent hexagonal phase. Slope change in the linear behavior of reduced pressure ( H ) with respect to Eulerian strain ( f E ) is observed at about 13 GPa in hexagonal phase and at about 17 GPa for the triclinic phase. High pressure Raman measurements using two different pressure transmitting media (PTM) show three linear pressure regions, separated by pressure values around which anomalies in the structure are observed. A broad minimum in the FWHM values of E 2 g 1 mode at about 10–12 GPa indicate to an electron-phonon coupling. Above 33 GPa the sample completely gets converted to the triclinic structure, which indicates the importance of strain in structural as well as electronic properties of two dimensional materials.

We report the measurements of the thermal conductivity (\\(\\kappa\\)) of iron (Fe) and nickel (Ni) at high pressures and high temperatures. \\(\\kappa\\) values are estimated from the temperature measurements across the sample surface in a laser heated diamond anvil cell (LHDAC) and using the COMSOL software. Near-isothermal \\(\\kappa\\)'s are observed to increase with pressure in both the metals due to the increase of density of the pressed metals. In both metals \\(\\kappa\\)'s are observed to follow a sharp fall during melting at different pressure points and are consistence with the other multi-anvil measurements. Constant values of \\(\\kappa\\) in these metals during melting at different pressures reveal the loss of long range order, which creates independent movement of atomic metals. The melting temperature measured in these metals from the sudden drop of \\(\\kappa\\)-values are in a good agreement with the other melting measurements in LHDAC. The results obtained in this study is expected to provide an insight to the studies on the planets Mercury and Mars and their interior.

The structural, vibrational, and optical properties of Rb\\(_2\\)TeBr\\(_6\\) have been investigated under high pressure using synchrotron X-ray diffraction, Raman spectroscopy, photoluminescence (PL), and optical absorption measurements. At ambient conditions, Rb\\(_2\\)TeBr\\(_6\\) crystallizes in the cubic Fm-3m structure, which remains stable below 8.0 GPa. Within this pressure range, subtle inter-octahedral rotations develop, producing a gradual localized deviation from the ideal cubic framework. This local reorientation facilitates radiative recombination, leading to a pronounced enhancement of PL intensity with pressure up to 2.4 GPa. Beyond this pressure point, enhancement of nonradiative relaxation channels result in gradual PL quenching. Additionally, the PL intensity increases upon the application of an external weak magnetic field. A structural transition to the orthorhombic Pnnm phase occurs at around 8.0 GPa, followed by a monoclinic P\\(2_1/m\\) phase above 10.7 GPa, and eventual amorphization beyond 25.5 GPa. Optical absorption spectra reveal continuous band-gap narrowing upon compression. These findings demonstrate the strong coupling among lattice dynamics, electronic structure, and optical response in Rb\\(_2\\)TeBr\\(_6\\), underscoring its potential as a pressure-tunable optoelectronic material