Related papers: Electro-optic properties from ab initio calculatio…
Two schemes are proposed to compute the nonlinear electro-optic (EO) tensor for the first time. In the first scheme, we compute the linear EO tensor of the structure under a finite electric field, while we compute the refractive index of…
The nonlinear optical properties and electro-optic effects of some oxygen-octahedric ferroelectrics are studied by the density functional theory (DFT) in the local density approximation (LDA) expressions based on first principle…
An electro-optic modulator offers the function of modulating the propagation of light in a material with electric field and enables seamless connection between electronics-based computing and photonics-based communication. The search for…
Future quantum computing architectures require electro-optic materials that maintain a strong, stable performance at cryogenic temperatures. In conventional electro-optic materials, large electro-optic coefficients are often confined to…
We derive and validate a quantitative analytical model of the near-field electrostatic effects in the vicinity (>=3\AA) of two-dimensional (2D) materials. In solving the Poisson equation of a near-planar point charge ansatz for the…
Electron-phonon coupling (EPC) is key for understanding many properties of materials such as superconductivity and electric resistivity. Although first principles density-functional-theory (DFT) based EPC calculations are used widely, their…
The exceptional electronic, optical and chemical properties of two-dimensional materials strongly depend on the 3D atomic structure and crystal defects. Using Re-doped MoS2 as a model, here we develop scanning atomic electron tomography…
Exotic phenomenon can be achieved in quantum materials by confining electronic states into two dimensions. For example, relativistic fermions are realised in a single layer of carbon atoms, the quantized Hall effect can result from…
Motivated by recent developments in perturbative calculations of the nonlinear evolution of large-scale structure, we present an iterative algorithm to reconstruct the initial conditions in a given volume starting from the dark matter…
First-principles calculations are performed to investigate the electro-optic (EO) and elasto-optic effects of the three-dimensional (bulk) and two-dimensional (monolayer) ferroelectric NbOI$_{2}$. Remarkably large linear EO and elasto-optic…
In this paper, we present a first comparison of different Adaptive Optics (AO) concepts to reach a given scientific specification for 3D spectroscopy on Extremely Large Telescope (ELT). We consider that a range of 30%-50% of Ensquarred…
In this paper, three different materials Si, ITO and graphene; and three different types of mode structures bulk, slot and hybrid; based on their electrooptical and electro absorptive aspects in performance are analyzed. The study focuses…
Spatially periodic elastic metamaterials, comprising hard inclusions within a soft matrix in $d$-dimensional space ($d\geq 2$), exhibit a rich spectrum of physical phenomena. This paper investigates such a model and presents the following…
The interaction between electrons and lattice vibrations determines key physical properties of materials, including their electrical and heat transport, excited electron dynamics, phase transitions, and superconductivity. We present a new…
We present an accurate local density-functional for electronic-structure calculations within the density functional theory (DFT). The functional is derived by analyzing the structure of the standard perturbative expansion of the correlation…
Two new types of electro-optic effect that are linear in the applied electric field strength are theoretically predicted to exist in transparent dielectric crystals due to high order spatial dispersion. The first effect, which is quadratic…
Ab initio electronic structure calculations of two-dimensional layered structures are typically performed using codes that were developed for three-dimensional structures, which are periodic in all three directions. The introduction of a…
In this work we use first-principles density-functional theory (DFT) calculations combined with the maximally localized Wannier function tight binding Hamiltonian (MLWF-TB) and Bethe-Salpeter equation (BSE) formalism to investigate…
Due to its immediate response, the electro-optic effect is exploited for high-frequency phase and power modulation and for beam deflection. Besides the immediate response, electro-optic materials exhibit creep due to relaxation processes in…
We present a review of the basic ideas and techniques of the spectral density functional theory which are currently used in electronic structure calculations of strongly-correlated materials where the one-electron description breaks down.…