Related papers: Rich structural polymorphism of monolayer C60 from…
Two-dimensional (2D) materials are known to possess emergent properties that are not found in their bulk counterparts. Recent experiments have shown a $\sqrt7 \times \sqrt3$ charge density wave (CDW) in monolayer 1T-VSe$_2$, in contrast to…
This work presents a method to produce structural composites capable of energy storage. They are produced by integrating thin sandwich structures of CNT fiber veils and an ionic liquid-based polymer electrolyte between carbon fiber plies,…
We model the quasicrystal-related structure CaCd$_6$, a bcc packing of icosahedral clusters containing tetrahedra which undergo orientational orderings at T<100 K. We use general schemes to evaluate an effective Hamltonian for…
The exploration of magnetism in two-dimensional layered materials has attracted extensive research interest. For the monoclinic phase CrI3 with interlayer antiferromagnetism, finding a static and robust way of realizing the intrinsic…
We demonstrate that, owing to the unique topology of the toroidal dipolar mode, its electric/magnetic field can be spatially confined within subwavelength, externally accessible regions of the metamolecules, which makes the toroidal planar…
The discovery of the C60 fullerene opened new horizons to design carbon nanostructures with targeted electronic structure as well as transport and optical properties. For example, endohedral 12C60 molecules were proposed as candidates for…
The recombination of electron-hole pairs injected in extended conjugated systems is modeled as a multi-pathway vibron-driven relaxation in monoexcited state-space. The computed triplet-to-singlet ratio of exciton formation times $r =…
Interactions between quasiparticles are of fundamental importance and ultimately determine the macroscopic properties of quantum matter. A famous example is the phenomenon of superconductivity, which arises from attractive electron-electron…
Charge-transfer (CT) exciton effects are investigated for the optical absorption spectra of crosslinked C60 systems by using the intermediate exciton theory. We consider the C60-dimers, and the two (and three) molecule systems of the…
Quasicrystals are frequently encountered in condensed matter. They are important candidates for equilibrium phases from the atomic scale to the nanoscale. Here, we investigate the computational self-assembly of four quasicrystals in a…
Strutinsky shell corrections for the Cesium-coated fullerenes were investigated. The single particle levels of electrons are obtained using the spherical mean-field potential of a shifted Wood-Saxon type. The parameters of the potential are…
Two-dimensional (2D) phase-change materials (PCMs) with moderate transition barriers and distinctly contrasting properties are highly desirable for multifunctional devices, yet such systems remain scarce. Using first-principles…
Motivated by the theoretical observation that isotropic chirality can exist even in completely random systems, we design a dielectric metamaterial consisting of a random colloid of meta-atoms, which exhibits unprecedentedly high isotropic…
We study metastable clusters in a colloidal system with competing interactions. A short-ranged polymer-induced attraction drives clustering, while a weak, long-ranged electrostatic repulsion prevents extensive aggregation. We compare…
The discovery of topological insulators has rapidly been followed by the advent of their photonic analogues, motivated by the prospect of backscattering-immune light propagation. So far, however, implementations have mainly relied on…
Identifying, quantifying, and suppressing decoherence mechanisms in qubits are important steps towards the goal of engineering a quantum computer or simulator. Superconducting circuits offer flexibility in qubit design; however, their…
Theoretical and experimental studies present that metal halogens in MX$_3$ forms can show very interesting electronic and magnetic properties in their bulk and monolayer phases. Many MX$_3$ materials have layered structures in their bulk…
We present a theoretical study on the behavior under pressure of the two hypothetical C$_{46}$ and Li$_8$C$_{46}$ type-I carbon clathrates in order to bring new informations concerning their synthesis. Using \textit{ab initio} calculations,…
Motivated by results from an earlier Brownian Dynamics (BD) simulation for the collapse of a single, stiff polymer in a poor solvent [B. Schnurr, F. C. MacKintosh, and D. R. M. Williams, Europhys. Lett. 51 (3), 279 (2000)] we calculate the…
We employ monomer-resolved Molecular Dynamics simulations and theoretical considerations to analyze the conformations of multiarm polyelectrolyte stars close to planar, uncharged walls. We identify three mechanisms that contribute to the…