Nonlinear optics from an ab initio approach by means of the dynamical Berry phase: Application to second- and third-harmonic generation in semiconductors

We present an ab initio real-time-based computational approach to study nonlinear optical properties in condensed matter systems that is especially suitable for crystalline solids and periodic nanostructures. The equations of motion and the coupling of the electrons with the external electric field are derived from the Berry-phase formulation of the dynamical polarization [Souza et al., Phys. Rev. B 69, 085106 (2004)]. Many-body effects are introduced by adding single-particle operators to the independent-particle Hamiltonian. We add a Hartree operator to account for crystal local effects and a scissor operator to correct the independent particle band structure for quasiparticle effects. We also discuss the possibility of accurately treating excitonic effects by adding a screened Hartree-Fock self-energy operator. The approach is validated by calculating the second-harmonic generation of SiC and AlAs bulk semiconductors: an excellent agreement is obtained with existing ab initio calculations from response theory in frequency domain [Luppi et al., Phys. Rev. B 82, 235201 (2010)]. We finally show applications to the second-harmonic generation of CdTe and the third-harmonic generation of Si. 

Nonlinear excitations in electron-positron-ion plasmas in accretion disks of active galactic nuclei

The propagation of acoustic nonlinear excitations in an electron-positron-ion (e-p-i) plasma composed of warm electrons and positrons, as well as hot ions, has been investigated by adopting a two-dimensional cylindrical geometry. The electrons and positrons are modeled by hydrodynamic fluid equations, while the ions are assumed to follow a temperature-parametrized Boltzmann distribution (the fixed ion model is recovered in the appropriate limit). This situation applies in the accretion disk near a black hole in active galactic nuclei, where the ion temperature may be as high as 3 to 300 times that of the electrons. Using a reductive perturbation technique, a cylindrical Kadomtsev-Petviashvili equation is derived and its exact soliton solutions are presented. Furthermore, real situations in which the strength of the nonlinearity may be weak are considered, so that higher-order nonlinearity plays an important role. Accordingly, an extended cylindrical Kadomtsev-Petviashvili equation is derived, which admits both soliton and double-layer solutions. The characteristics of the nonlinear excitations obtained are investigated in detail

Nonlinear excitations in strongly-coupled plasma lattices: envelope solitons, kinks and intrinsic localized modes

Ensembles of charged particles (plasmas) are a highly complex form of matter, most often modeled as a many-body system characterized by weak inter-particle interactions (electrostatic coupling). However, strongly-coupled plasma configurations have recently been produced in laboratory, either by creating ultra-cold plasmas confined in a trap or by manipulating dusty plasmas in discharge experiments. In this paper, the nonlinear aspects involved in the motion of charged dust grains in a one-dimensional plasma monolayer (crystal) are discussed. Different types of collective excitations are reviewed, and characteristics and conditions for their occurrence in dusty plasma crystals are discussed, in a quasi-continuum approximation. Dust crystals are shown to support nonlinear kink-shaped supersonic solitary longitudinal excitations, as well as modulated envelope localized modes associated with longitudinal and transverse vibrations. Furthermore, the possibility for intrinsic localized modes (ILMs) — Discrete Breathers (DBs) — to occur is investigated, from first principles. The effect of mode-coupling is also briefly considered. The relation to previous results on atomic chains, and also to experimental results on strongly-coupled dust layers in gas discharge plasmas, is briefly discussed.

Nonlinear excitations in ferromagnetic chains with nearest and next nearest neighbor exchange interactions

Weakly nonlinear excitations in one-dimensional isotropic Heisenberg ferromagnetic chains with nearest- and next-nearest-neighbor exchange interactions are considered. Based on the properties of modulational stability of corresponding linear spin waves, the existence regions of bright and dark magnetic solitons of the system are discussed in the whole Brillouin zone. The antidark soliton mode which is convex soliton super-imposed with a plane wave component is obtained near the zero-dispersion points of the spin wave frequency spectrum. The analytical results are checked by numerical simulations. [S0163;1829(98)01838-4].

Nonlinear wavepackets in pair-ion and electron-positron-ion plasmas

The occurrence of amplitude-modulated electrostatic and electromagnetic
wavepackets in pair plasmas is investigated. A static additional charged background species is considered, accounting for dust defects or for heavy ion
presence in the background. Relying on a two-fluid description, a nonlinear
Schrodinger type evolution equation is obtained and analyzed, in terms of the
slow dynamics of the wave amplitude. Exact envelope excitations are obtained,
modelling envelope pulses or holes, and their characteristics are discussed.

Nanoscale Origins of Nonlinear Behavior in Ferroic Thin Films

The nonlinear response of a ferroic to an applied field has been studied through the phenomenological Rayleigh Law for over a hundred years. Yet, despite this, the fundamental physical mechanisms at the nanoscale that lead to macroscopic Rayleigh behavior have remained largely elusive, and experimental evidence at small length scales is limited. Here, it is shown using a combination of scanning probe techniques and phase field modeling, that nanoscale piezoelectric response in prototypical Pb(Zr,Ti)O3 films appears to follow a distinctly non-Rayleigh regime. Through statistical analysis, it is found that an averaging of local responses can lead directly to Rayleigh-like behavior of the strain on a macroscale. Phase-field modeling confirms the twist of the ferroelastic interface is key in enhancing piezoelectric response. The studies shed light on the nanoscale origins of nonlinear behavior in disordered ferroics.

Nonlinear phenomena in multiferroic nanocapacitors:joule heating and electromechanical effects

We demonstrate an approach for probing nonlinear electromechanical responses in BiFeO(3) thin film nanocapacitors using half-harmonic band excitation piezoresponse force microscopy (PFM). Nonlinear PFM images of nanocapacitor arrays show clearly visible clusters of capacitors associated with variations of local leakage current through the BiFeO(3) film. Strain spectroscopy measurements and finite element modeling point to significance of the Joule heating and show that the thermal effects caused by the Joule heating can provide nontrivial contributions to the nonlinear electromechanical responses in ferroic nanostructures. This approach can be further extended to unambiguous mapping of electrostatic signal contributions to PFM and related techniques.

Three-mode entanglement by interlinked nonlinear interactions in optical chi((2)) media

We address the generation of fully inseparable three-mode entangled states of radiation by interlinked nonlinear interactions in chi((2)) media. We show how three-mode entanglement can be used to realize symmetric and asymmetric telecloning machines, which achieve optimal fidelity for coherent states. An experimental implementation involving a single nonlinear crystal in which the two interactions take place simultaneously is suggested. Preliminary experimental results showing the feasibility and the effectiveness of the interaction scheme with a seeded crystal are also presented. (C) 2004 Optical Society of America.

Nonlinear compressional electromagnetic ion-cyclotron wavepackets in space plasmas

The parametric coupling between large amplitude magnetic field-aligned circularly polarized electromagnetic ion-cyclotron (EMIC) waves and ponderomotively driven ion-acoustic perturbations in magnetized space plasmas is considered. A cubic nonlinear Schrodinger equation for the modulated EMIC wave envelope is derived, and then solved analytically. The modulated EMIC waves are found to be stable (unstable) against ion-acoustic density perturbations, in the subsonic (supersonic, respectively) case, and they may propagate as "supersonic bright" ("subsonic dark", i.e. "black" or "grey") type envelope solitons, i.e. electric field pulses (holes, voids), associated with (co-propagating) density humps. Explicit bright and dark (black/grey) envelope excitation profiles are presented, and the relevance of our investigation to space plasmas is discussed.

Harmonic generation and wave mixing in nonlinear metamaterials and photonic crystals (Invited paper)

The basic concepts and phenomenology of wave mixing and harmonic generation are reviewed in context of the recent advances in the enhanced nonlinear activity in metamaterials and photonic crystals. The effects of dispersion, field confinement and phase synchronism are illustrated by the examples of the on-purpose designed artificial nonlinear structures. (c) 2012 Wiley Periodicals, Inc. Int J RF and Microwave CAE 22:469482, 2012.

Nonreciprocal scattering by stacked nonlinear magneto-active semiconductor layers

The combinatorial frequency generation by the periodic stacks of magnetically biased semiconductor layers has been modelled in a self-consistent problem formulation, taking into account the nonlinear dynamics of carriers. It is shown that magnetic bias not only renders nonreciprocity of the three-wave mixing process but also significantly enhances the nonlinear interactions in the stacks, especially at the frequencies close to the intrinsic magneto-plasma resonances of the constituent layers. The main mechanisms and properties of the combinatorial frequency generation and emission from the stacks are illustrated by the simulation results, and the effects of the individual layer parameters and the structure arrangement on the stack nonlinear and nonreciprocal response are discussed. © 2014 Elsevier B.V. All rights reserved.

Strong second harmonic generation in SiC, ZnO, GaN two-dimensional hexagonal crystals from first-principles many-body calculations

The second harmonic generation (SHG) intensity spectrum of SiC, ZnO, GaN two-dimensional hexagonal crystals is calculated by using a real-time first-principles approach based on Green's function theory [Attaccalite et al., Phys. Rev. B: Condens. Matter Mater. Phys. 2013 88, 235113]. This approach allows one to go beyond the independent particle description used in standard first-principles nonlinear optics calculations by including quasiparticle corrections (by means of the GW approximation), crystal local field effects and excitonic effects. Our results show that the SHG spectra obtained using the latter approach differ significantly from their independent particle counterparts. In particular they show strong excitonic resonances at which the SHG intensity is about two times stronger than within the independent particle approximation. All the systems studied (whose stabilities have been predicted theoretically) are transparent and at the same time exhibit a remarkable SHG intensity in the range of frequencies at which Ti:sapphire and Nd:YAG lasers operate; thus they can be of interest for nanoscale nonlinear frequency conversion devices. Specifically the SHG intensity at 800 nm (1.55 eV) ranges from about 40-80 pm V(-1) in ZnO and GaN to 0.6 nm V(-1) in SiC. The latter value in particular is 1 order of magnitude larger than values in standard nonlinear crystals.