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We utilize classical molecular dynamics to study surface effects on the piezoelectric properties of ZnO nanowires as calculated under uniaxial loading. An important point to our work is that we have utilized two types of surface treatments,…
We present a procedure to map the constitutive laws of elasticity (both in the linear and nonlinear regime) onto a discrete atomic lattice and we apply the resulting elastic lattice model to investigate the strain field within an embedded…
Bandstructure effects in PMOS transport of strongly quantized silicon nanowire field-effect-transistors (FET) in various transport orientations are examined. A 20-band sp3d5s* spin-orbit-coupled (SO) atomistic tight-binding model coupled to…
The electronic structure of condensed matter can be significantly affected by the electron-phonon interaction, leading to important phenomena such as electrical resistance, superconductivity or the formation of polarons. This interaction is…
Well-designed nanostructures on fiber facets can boost wide-angle light coupling and thus gain considerable attention because of the potential for intensive applications. However, previous theories commonly concentrate on the configurations…
In this paper, using the quantum multistream model, we develop a method to study the electronic band structure of plasmonic excitations in streaming electron gas with arbitrary degree of degeneracy. The multifluid quantum hydrodynamic model…
Spin-orbit interaction (SOI) is a crucial ingredient for many potential applications of quantum devices, such as the use of semiconductor nanostructures for quantum computing. It is known that nonlinear conductivities are sensitive to the…
Piezoelectric elastic metamaterials offer the ability to overcome the fixed, narrow bandwidth characteristics of passive elastic metamaterials. Interesting ultrasonic band gaps exist in piezoelectric plate metamaterials with periodic…
We present a finite-strain model that is capable of describing the large deformations in bent nanowire heterostructures. The model incorporates a nonlinear strain formulation derived from the first Piola-Kirchhoff stress tensor, coupled…
Electron transport within nanostructures can be important to varied engineering applications, such as thermoelectrics and nanoelectronics. In theoretical studies, electron Monte Carlo simulations are widely used as an alternative approach…
We present a low energy-theory for non-linear transport in finite-size interacting single-wall carbon nanotubes. It is based on a microscopic model for the interacting p_z electrons and successive bosonization. We consider weak coupling to…
This paper presents a novel derivation of the direct parametrisation method for invariant manifolds able to build simulation-free reduced-order models for nonlinear piezoelectric structures, with a particular emphasis on applications to…
Understanding microstructure in terms of closed-form expressions is an open challenge in nonequilibrium statistical physics. We propose a simple and generic method that combines particle-resolved simulations, deep neural networks and…
We present many-body \textit{ab initio} calculations of the electronic and optical properties of semiconducting zigzag carbon nanotubes under uniaxial strain. The GW approach is utilized to obtain the quasiparticle bandgaps and is combined…
We propose a theoretical model to describe the strain-induced linear electro-optic (Pockels) effect in centro-symmetric crystals. The general formulation is presented and the specific case of the strained silicon is investigated in detail…
Low-dimensional (LD) transition metal dichalcogenides (TMDs) in the form of nanoflakes, which consist of one or several layers, are the subject of intensive fundamental and applied research. Due to the size-induced transition from a bulk to…
Including the effect of lattice anharmonicity on electron-phonon interactions has recently garnered attention due to its role as a necessary and significant component in explaining various phenomena, including superconductivity, optical…
The low-dimensional ferroelectrics, ferrielectrics and antiferroelectrics are of urgent scientific interest due to their unusual polar, piezoelectric, electrocaloric and pyroelectric properties. The strain engineering and strain control of…
Magnetoelectric composites integrate the coupling between magnetic and piezoelectric materials to create new functionalities for potential technological applications. This coupling is typically achieved through the exchange of magnetic,…
Polarization effects are included exactly in a model for a quantum dot in close proximity to a planar interface. Efficient incorporation of this potential into the Schr\"{o}dinger equation is utilized to map out the influence of the image…