相关论文: Dynamics of ballistic photocurrents driven by Coul…
The shift current effect, in materials lacking inversion symmetry, may potentially allow the performance of photovoltaics to surpass the Shockley-Queisser limit for traditional p-n junction-based photovoltaics. Although the shift-current…
In this work we theoretically study properties of electric current driven by a temperature gradient through a quantum dot/molecule coupled to the source and drain charge reservoirs. We analyze the effect of Coulomb interactions between…
Theory of the Linear photogalvanic effect is developed for direct optical transitions between surface states of three-dimensional topological insulators. The photocurrent governed by the orientation of the polarization plane of light and…
We present a theoretical description of femtosecond laser induced dynamics of the hydrogen molecule and of singly ionised sodium dimers, based on a real-space, real-time, implementation of time-dependent density functional theory (TDDFT).…
The ballistic and shift contributions to the interband linear photogalvanic effect are calculated in the same band structure model of a noncentrosymmetric semiconductor. The calculation uses a two-band generalized Dirac effective…
The bulk photovoltaic effect (BPVE) occurs in solids with broken inversion symmetry and refers to DC current generation due to uniform illumination, without the need of heterostructures or interfaces, a feature that is distinct from the…
We develop a theory of Coulomb interaction-related contribution to the photogalvanic current of the carriers of charge in two-dimensional non-centrosymmetric Dirac materials possessing a nontrivial structure of valleys and exposed to an…
The formalism of density functional theory (DFT) can be easily extended to the time dependent case (TDDFT). However, while in the static case the theory is well established and is expected to be, at least in principle, an exact approach for…
The photogalvanic effect is the generation of a second-order direct current by illumination of a non-centrosymmetric material. In this work, we develop a first-principles real-time density matrix (FPDMD) formalism enabling the calculations…
Shift current---a photocurrent induced by light irradiating noncentrosymmetric materials in the absence of any bias voltage or built-in electric field---is one of the mechanisms of the so-called bulk photovoltaic effect. It has been…
The bulk photovoltaic effect (BPVE) -- generation of electric currents by light in noncentrosymmetric materials in the absence of electric fields and gradients -- has been intensively investigated in the end of the last century. The…
The bulk photovoltaic effect is a photocurrent generation from alternating electric field, which is a promising candidate for future efficient solar cell technology. It is the second-order optical current, which is the injection current or…
The bulk photovoltaic effect (BPVE) refers to current generation due to illumination by light in a homogeneous bulk material lacking inversion symmetry. In addition to the intensively studied shift current, the ballistic current, which…
This study investigates the influence of quantum effects on Coulomb explosion dynamics using time-dependent density functional theory (TDDFT) simulations, comparing classical, semi-classical, and quantum approaches. The goal is to elucidate…
The bulk photovoltaic effect is an experimentally verified phenomenon by which a direct charge current is induced within a non-centrosymmetric material by light illumination. Calculations of its intrinsic contribution, the shift current,…
The bulk photovoltaic effect provides a fundamental pathway for direct light-to-current conversion in quantum materials. However, these nonlinear currents are often strictly constrained or forbidden by crystal symmetries, hindering their…
The scattering of photons of x-ray energy off a Coulomb field in very forward scattering region may be thought as the refraction effect due to the Coulomb field. The cross section of the scattering can be computed from the photon bending…
The circular photon drag effect is observed in a bulk semiconductor. The photocurrent caused by a transfer of both translational and angular momenta of light to charge carriers is detected in tellurium in the mid-infrared frequency range.…
We provide a new formulation of Time-Dependent Density Functional Theory (TDDFT) based on the geometric structure of the set of states constrained to have a fixed density. Orbital-free TDDFT is formulated using a hydrodynamics equation…
A fundamental assumption of the dynamical density functional theory (DDFT) of colloidal systems is that a grand-canonical free energy functional may be employed to generate the thermodynamic driving forces. Using one-dimensional hard-rods…