Related papers: Coupled Effects in Quantum Dot Nanostructures with…
Symmetry breaking at surfaces and interfaces and the capability to support large strain gradients in nanoscale systems enable new forms of electromechanical coupling. Here we introduce the concept of quantum flexoelectricity, a phenomenon…
We analytically derive the elastic, dielectric, piezoelectric, and the flexoelectric phenomenological coefficients as functions of microscopic model parameters such as ionic positions and spring constants in the two-dimensional…
Understanding and controlling the photoexcited quasiparticle (QP) dynamics in monolayer transition metal dichalcogenides lays the foundation for exploring the strongly interacting, non-equilibrium 2D quasiparticle and polaritonic states in…
We combine ab initio, tight-binding methods and analytical theory to study piezoelectric effect of boron nitride nanotubes. We find that piezoelectricity of a heteropolar nanotube depends on its chirality and diameter and can be understood…
We discuss a model that considers the bulk composite as a homogeneous medium with piezoelectric and magnetostrictive subsystems. We solve combined elastostatic, electrostatic and magnetostatic equations to obtain effective composite…
Strain engineering has emerged as a powerful tool to modify the optical and electronic properties of two-dimensional crystals. Here we perform a systematic study of strained semiconducting transition metal dichalcogenides. The effect of…
Existing smart composite piezoelectric beam models in the literature mostly ignore the electro-magnetic interactions and adopt the linear elasticity theory. However, these interactions substantially change the controllability and…
We report on a theoreticl study of the electronic structure of quasiperiodic, quasi-one-dimensional systems where fully three dimensional interaction potentials are taken into account. In our approach, the actual physical potential acting…
Particle based methods such as the Discrete Element Method and the Lattice Spring Method may be used for describing the behaviour of isotropic linear elastic materials. However, the common bond models employed to describe the interaction…
We consider models of quasi-1-d, planar atomic wires consisting of several, laterally coupled rows of atoms, with mutually non-interacting electrons. This electronic wire system is coupled to phonons, corresponding, e.g., to some substrate.…
The spin-resolved thermoelectric transport properties of correlated nanoscale junctions, consisting of a quantum dot/molecule asymmetrically coupled to external ferromagnetic contacts, are studied theoretically in the far-from-equilibrium…
Semiconductor devices are scaled down to the level which constituent materials are no longer considered continuous. To account for atomistic randomness, surface effects and quantum mechanical effects, an atomistic modeling approach needs to…
The evolution of metals micro/nano-structure upon severe plastic deformation (SPD) is still far to be theoretically explained, while experimental datasets are persistently growing. Major problem associated with understanding of SPD is a…
We propose an efficient reduced-order technique for electronic structure calculations of semiconductor nanostructures, suited for inclusion in full-band quantum transport simulators. The model is based on the linear combination of bulk…
Controlling nonlinear effects in micro- and nano-electro-mechanical systems is essential for unlocking their full potential in sensing, signal processing, and frequency control. In this study, we develop a voltage-dependent Hamiltonian…
Magnetoelectric coupling terms are derived in piezoelectric/magnetostrictive (multiferroic) thin film heterostructures using Landau-Ginzburg free energy expansions in terms of strain and by considering strain boundary conditions between the…
Freestanding ferroelectric membranes have emerged as a versatile tool for strain engineering, enabling the exploration of ferroelectric properties beyond traditional epitaxy. The resulting ferroelectric domain patterns stem from the balance…
We study the interlayer pairing states in layered systems of two different 2d electronic subsystems, one with relativistic linear and the other with non-relativistic parabolic spectrum. The complex order parameter of the paired state has a…
Wavefunctions restricted to electron-pair states are promising models to describe static/nondynamic electron correlation effects encountered, for instance, in bond-dissociation processes and transition-metal and actinide chemistry. To reach…
The combination of two-dimensional materials into heterostructures offers new opportunities for the design of optoelectronic devices with tunable properties. However, computing electronic and optical properties of such systems using…