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The optical and electronic properties of multilayer transition metal dichalcogenides differ significantly from their monolayer counterparts due to interlayer interactions. The separation of individual layers can be tuned in a controlled way…
Magnetoelectric (ME) materials are of fundamental interest and have been investigated for their broad potential for technological applications. The search for, and eventually the theoretical design of, materials with large ME couplings…
The control of electromechanical responses within bonding regions is essential to face frontier challenges in nanotechnologies, such as molecular electronics and biotechnology. Here, we present I\b{eta}-nanocellulose as a potentially new…
The Hamiltonian dynamics of the classical $\phi^4$ model on a two-dimensional square lattice is investigated by means of numerical simulations. The macroscopic observables are computed as time averages. The results clearly reveal the…
The phonon density-of-states of transition metal diborides TMB2 with TM = Ti, V, Ta, Nb and Y has been measured using the technique of inelastic neutron scattering. The experimental data are compared with ab initio density functional…
Monolayers of transition metal dichalcogenides (TMDC) became one of the most studied nanostructures in the last decade. Combining two different TMDC monolayers results in a heterostructure whose properties can be individually tuned by the…
Additively manufactured auxetic structures offer desirable qualities like lightweight, good energy absorption, excellent indentation resistance, high shear stiffness and fracture toughness among others. A wide range of materials from…
Next-generation, atomically thin devices require in-plane, one-dimensional heterojunctions to electrically connect different two-dimensional (2D) materials. However, the lattice mismatch between most 2D materials leads to unavoidable…
Two-dimensional electron systems with fascinating properties exist in multilayers of standard semiconductors, on helium surfaces, and in oxides. Compared to the two-dimensional (2D) electron gases of semiconductors, the 2D electron systems…
We simulate the compression of a two-component Lennard-Jones liquid at a variety of constant temperatures using a molecular dynamics algorithm in an isobaric-isothermal ensemble. The viscosity of the liquid increases with pressure,…
A coupled atomistic spin and lattice dynamics approach is developed which merges the dynamics of these two degrees of freedom into a single set of coupled equations of motion. The underlying microscopic model comprises local exchange…
The properties of crystals consisting of several components can be widely tuned. Often solid solutions are produced, where substitutional or interstitional disorder determines the crystal thermodynamic and mechanical properties. The…
Broadband dielectric spectroscopy was used to study the molecular orientational dynamics of the glass-forming, thioether-linked cyanobiphenyl liquid crystal dimers. As was expected theoretically, two different relaxation processes that…
The origin of frequently observed ultrahigh electric-induced longitudinal strain, ranging from 1% to 26%, remains an open question. Recent evidence suggests that this phenomenon is linked to the bending deformation of samples, but the…
Transition metal dichalcogenides (TMDs) are known to support complex excitonic states. Revealing the differences in relaxation dynamics among different excitonic species and elucidating the transition dynamics between them may provide…
Two-dimensional group IV transition-metal dichalcogenides have encouraging thermoelectric applications since their electronic and lattice properties can be manipulated with strain. In this paper, we report the thermoelectric parameters such…
Mechanical properties of transition metal dichalcogenides (TMDCs) are relevant to their prospective applications in flexible electronics. So far, the focus has been on the semiconducting TMDCs, mostly MoX2 and WX2 (X=S, Se) due to their…
The structural, electronic, mechanic, vibrational and thermodynamic properties of Ti2SiB which is a hypothetical MAX phase compound, have been investigated using density functional theory calculations. The structural optimization of Ti2SiB…
We investigate the spin-2 chain model corresponding to the small hopping limit of the spin-2 Bose-Hubbard model using density-matrix renormalization-group and time-evolution techniques. We calculate both static correlation functions and the…
With strongly bound and stable excitons at room temperature, single-layer, two-dimensional organic-inorganic hybrid perovskites are viable semiconductors for light-emitting quantum optoelectronics applications. In such a technological…