Sequential Structural Degradation of Red Perovskite Quantum Dots and Its Prevention by Introducing Iodide at a Stable Gradient Concentration into the Core–Shell Red Perovskite Quantum Dots

Perovskite quantum dots (QDs) have been extensively studied as emissive materials for next-generation optoelectronics due to their outstanding optical properties; however, their structural instabilities, specifically those of red perovskite QDs,...

Homogenization of fully nonlinear rod lattice structures: on the size of the RVE and micro structural instabilities

This work investigates the possibility of applying two-scale computational homogenization to rod lattice structures emerging, for instance, from additive manufacturing. The influence of the number of unit cells within the representative volume element (RVE), thus, the RVE’s size on the homogenized mechanical response is studied for occurring microscopic structural instabilities. Therein, the macro-scale, described in terms of three-dimensional continuum mechanics, is coupled to the micro-scale described by geometrically exact rods, enabling arbitrary large deformations and rotations. A special feature of the presented framework is that the rods building the lattice structures are not restricted to deform purely elastically but may deform inelastically. The mechanical response of lattice structures is investigated by applying the developed homogenization method to an exemplary lattice. Under special loads the structure reaches an instable state and may buckle. The appearance of instabilities depends on the geometric properties of the lattice’s underlying rods and the RVE’s size.

Superconductivity modulated by structural phase transitions in pressurized vanadium-based kagome metals

The interplay of superconductivity with electronic and structural instabilities on the kagome lattice provides a fertile ground for the emergence of unusual phenomena. The vanadium-based kagome metals AV3Sb5 (A = K, Rb, Cs) exhibit superconductivity on an almost ideal kagome lattice, with the superconducting transition temperature Tc forming two domes upon pressure-tuning. The first dome arises from the competition between superconductivity and a charge-density-wave, whereas the origin for the second dome remains unclear. Herein, we show that the appearance of the second superconducting dome in KV3Sb5 and RbV3Sb5 is associated with transitions from hexagonal P6/mmm to monoclinic P2/m structures, evidenced by splitting of structural peaks from synchrotron powder X-ray diffraction experiments and imaginary phonon frequencies in first-principles calculations. In KV3Sb5, transition to an orthorhombic Pmmm structure is further observed for pressure p≥20 GPa, and is correlated with the strong suppression of Tc in the second superconducting dome. Our findings indicate distortions of the crystal structure modulates superconductivity in AV3Sb5 under pressure, providing a platform to study the emergence of superconductivity in the presence of multiple structural instabilities.

Pressure-Induced Jahn-Teller Switch in the Homoleptic Hybrid Perovskite [(CH3)2NH2]Cu(HCOO)3: Orbital Reordering by Unconventional Degrees of Freedom

<div> <p><b>Through in-situ, high-pressure x-ray diffraction experiments we have shown that the homoleptic perovskite-like coordination polymer [(CH₃)₂NH₂]Cu(HCOO)₃ undergoes a pressure-induced orbital reordering phase transition above 5.20 GPa. This transition is distinct from previously reported Jahn-Teller switching in coordination polymers, which required at least two different ligands that crystallize in a reverse spectrochemical series. We show that the orbital reordering phase transition in [(CH₃)₂NH₂]Cu(HCOO)₃ is instead primarily driven by unconventional octahedral tilts and shifts in the framework, and/or a reconfiguration of A-site cation ordering. These structural instabilities are unique to the coordination polymer perovskites, and may form the basis for undiscovered orbital reorientation phenomena</b><b> in this broad family of materials.</b><b></b></p> </div> <b><br></b>

Pressure-Induced Jahn-Teller Switch in the Homoleptic Hybrid Perovskite [(CH3)2NH2]Cu(HCOO)3: Orbital Reordering by Unconventional Degrees of Freedom

<div> <p><b>Through in-situ, high-pressure x-ray diffraction experiments we have shown that the homoleptic perovskite-like coordination polymer [(CH₃)₂NH₂]Cu(HCOO)₃ undergoes a pressure-induced orbital reordering phase transition above 5.20 GPa. This transition is distinct from previously reported Jahn-Teller switching in coordination polymers, which required at least two different ligands that crystallize in a reverse spectrochemical series. We show that the orbital reordering phase transition in [(CH₃)₂NH₂]Cu(HCOO)₃ is instead primarily driven by unconventional octahedral tilts and shifts in the framework, and/or a reconfiguration of A-site cation ordering. These structural instabilities are unique to the coordination polymer perovskites, and may form the basis for undiscovered orbital reorientation phenomena</b><b> in this broad family of materials.</b><b></b></p> </div> <b><br></b>

Metal cation s lone-pairs increase octahedral tilting instabilities in halide perovskites

Lone-pair covalency can faciliate dynamic tilting of MBr6 octahedra and increase dynamic structural instabilities.

One-Dimensional Alternating Extended Hubbard Model at Quarter-Filling and Its Applications to Structural Instabilities of Organic Conductors

The one-dimensional extended Hubbard model with lattice dimerization and alternated site potentials is analyzed using the renormalization group method. The coupling of electrons to structural degrees of freedom such as the anion lattice and acoustic phonons is investigated to obtain the possible instabilities against the formation of lattice superstructures. Applications of the theory to anionic and spin-Peierls instabilities in the Fabre and Bechgaard salts series of organic conductors and ordered alloys are presented and discussed.

A nonlinear beam model of photomotile structures

Actuation remains a significant challenge in soft robotics. Actuation by light has important advantages: Objects can be actuated from a distance, distinct frequencies can be used to actuate and control distinct modes with minimal interference, and significant power can be transmitted over long distances through corrosion-free, lightweight fiber optic cables. Photochemical processes that directly convert photons to configurational changes are particularly attractive for actuation. Various works have reported light-induced actuation with liquid crystal elastomers combined with azobenzene photochromes. We present a simple modeling framework and a series of examples that study actuation by light. Of particular interest is the generation of cyclic or periodic motion under steady illumination. We show that this emerges as a result of a coupling between light absorption and deformation. As the structure absorbs light and deforms, the conditions of illumination change, and this, in turn, changes the nature of further deformation. This coupling can be exploited in either closed structures or with structural instabilities to generate cyclic motion.