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Motivated by trapping and cooling experiments with non-spherical nanoparticles, we discuss how their combined rotational and translational quantum state is affected by the interaction with a gaseous environment. Based on the quantum master…
Electronic tunability in crystals with weakly-bound layers can be achieved through layer stacking order. One such example is MoTe$_2$, where the low-temperature orthorhombic T$_d$ phase is topological and host to Weyl quasiparticles. The…
Confined electronic states and optical transitions in 3D topological insulator nanoparticles have been studied in the literature, assuming idealized geometries such as spheres or infinitely long cylinders, that allow to obtain analytical…
In this article, we study the thermodynamic behavior of anisotropic shape (rod and disk) nanoparticle within the block copolymer matrix by using self-consistent field theory (SCFT) simulation. In particular, we introduce various defect…
The magnetic properties of single-domain nanoparticles with different geometric shapes, crystalline anisotropies and lattice structures are investigated. A recently proposed scaling approach is shown to be universal and in agreement with…
We examine the structure of compact metal nanoparticles (NPs) forming polyhedral sections of face centered (fcc) and body centered (bcc) cubic lattices, which are confined by facets characterized by highly dense {100}, {110}, and {111}…
The shape of crystalline nanoparticles (NP) can often be described by polyhedra with flat facet surfaces. Thus, structural studies of polyhedral bodies can help to describe geometric details of NPs. Here we consider compact polyhedra of…
The quantum spin Hall (QSH) effect, characterized by topologically protected spin-polarized edge states, was recently demonstrated in monolayers of the transition metal dichalcogenide (TMD) WTe$_2$. However, the robustness of this…
We show theoretically that in the superconducting nanostructures the gapped states of different topology are not always protected by separating gapped states. Depending on the structure design parameters, they can be either protected or…
We find exact conditions for the enhancement or suppression of internal and/or scattered fields and the determination of their spatial distribution or angular momentum through the combination of simple fields. The incident fields can be…
Nanoparticles with different surface morphologies that straddle the interface between two immiscible liquids are studied via molecular dynamics simulations. The methodology employed allows us to compute the interfacial free energy at…
When colloidal particles are vertically confined to a gap of between 1.3-1.6 particle diameters, they pack into buckled crystals of particles in either "up" or "down" states. Neighboring particles tend to occupy opposite states, analogous…
van der Waals stacking of two-dimensional (2D) materials offers a powerful platform for engineering material interfaces with tailored electronic and optical properties. While most van der Waals multilayers have featured inorganic…
Transition metal dichalcogenides (TMDCs), belonging to the class of van der Waals materials, are promising materials for optoelectronics and photonics. In particular, their giant optical anisotropy may enable important optical effects when…
Kinetic Monte Carlo approach is developed to study aspects of sintering of dispersed nanoparticles of bimodal size distributions. We explore mechanisms of neck development when sintering is initiated at elevated temperatures for nanosize…
We report a kinetic Monte Carlo modeling study of nanocrystal layer sintering. Features that are of interest for the dynamics of the layer as a whole, especially the morphology of the evolving structure, are considered. It is found that the…
A continuum theory is employed to numerically study the equilibrium orientation and defect structures of a circular cylindrical particle with flat ends under a homeotropic anchoring condition in a uniform nematic medium. Different aspect…
We introduce a combined Restrained MD/Parallel Tempering approach to study the difference in free energy as a function of a set of collective variables between two states in presence of unknown slow degrees of freedom. We applied this…
We study the behavior of a monolayer, which occupies initially a bounded region on an ideal crystalline surface and then evolves in time due to random hopping motion of the monolayer particles. In the case when the initially occupied region…
The second order optical response of centrosymmetric materials manifests itself mostly at their surface, being strongly suppressed in their bulk. However, the overall surface response is also suppressed in nanoparticles with a…