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At least 937 records · Page 52
All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Tunable Second Harmonic Generation in Twisted Bilayer Graphene

Twisted stacking of van der Waals (vdW) materials introduces a new way in bandstructure engineering and has given rise to numerous extraordinary physical phenomena. Despite the absence of second harmonic generation (SHG) in non-gated monolayer graphene, artificially twisted bilayer graphene (tBLG) possesses more possible point-group symmetries including those with broken inversion-symmetry. Here, we report twist-angle-dependent SHG from tBLG, which is the first demonstration of an elemental material with intrinsically tunable nonlinearity. We show that depending on the twist angle, the susceptibility of the dominant chiral tensor component of tBLGs can vary from 0 to 28×10 4 pm 2 /V, which is at the same order of magnitude as on-resonance susceptibility of monolayer MoS 2 . These results shed light on the underlying symmetry of tBLG systems and electronic band-structure near van Hove singularities (vHs). More importantly, they introduce a new degree of freedom, the twisting, in creating efficient second-order nonlinear material form centrosymmetric constituents

36 MATERIALS SCIENCE↗
DOE OSTI2019

A spherical harmonic transform approach to the indexing of electron back-scattered diffraction patterns

A new approach is proposed for the indexing of electron back-scattered diffraction (EBSD) patterns. The algorithm employs a spherical master EBSD pattern and computes its cross-correlation with a back-projected experimental pattern using the spherical harmonic transform (SHT). This approach is significantly faster than the recent dictionary indexing algorithm, but shares the latter’s robustness against noise. The underlying theory is presented, followed by example applications, one on a series of Ni EBSD data sets recorded with decreasing signal-to-noise ratio, the other on a large shot-peened Al data set. The dependence of indexing speed and memory usage on the SHT bandwidth is explored. The speed gains of the new algorithm are achieved by executing real-valued Fast Fourier Transforms, explicitly incorporating crystallographic symmetry in the cross-correlation computation, and using efficient loop ordering to improve the caching behavior. The algorithm produces a cross-correlation array in the zyz Euler space; an orientation refinement procedure is proposed based on analytical derivatives of the Wigner d functions. As a result, the new approach can be applied to any diffraction modality for which the scattered intensity can be represented on a spherical surface.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Magnetic Properties and Large Second-Harmonic Generation Response of a Chiral Ternary Chalcogenide: Eu 2 SiSe 4

Eu(II)-containing chalcogenides are an emerging class of materials that are of great interest due to their high optical activity and intriguing magnetism. Here, we synthesized Eu 2 SiSe 4 as red-colored single crystals and characterized its structure with single-crystal X-ray diffraction, confirming the reported chiral monoclinic P2 1 symmetry at room temperature. The crystal structure of Eu 2 SiSe 4 comprises distorted SiSe 4 tetrahedral units and charge-balancing Eu(II) cations. Here, we develop a two-step solid-state synthesis method for Eu 2 SiSe 4 and compare it to the known boron chalcogenide method. We find the second-harmonic generation (SHG) activity of polycrystalline Eu 2 SiSe 4 to be ∼7 × AgGaS 2 , placing it among the highest-known SHG-active chalcogenides. No symmetry lowering is observed down to 100 K in single-crystal X-ray diffraction, although an anomalous expansion in the b-axis lattice parameter occurs and may be correlated to lattice modes of the SiSe 4 tetrahedra. We investigate the physical properties of Eu 2 SiSe 4 using magnetometry and heat capacity measurements and find a transition to an antiferromagnetic ground state at T N ≈ 5.5 K. The low-temperature transition releases less entropy than expected, which may be due to the complex crystal electric field effects of Eu(II).

36 MATERIALS SCIENCE↗
DOE OSTI2022

Anomalous Second Harmonic Generation from Atomically Thin MnBi 2 Te 4

MnBi 2 Te 4 is a van der Waals topological insulator with intrinsic intralayer ferromagnetic exchange and A-type antiferromagnetic (AFM) interlayer coupling. Theoretically, it belongs to a class of structurally centrosymmetric crystals whose layered antiferromagnetic order breaks inversion symmetry for even layer numbers, making optical second harmonic generation (SHG) an ideal probe of the coupling between the crystal and magnetic structures. Here, we perform magnetic field and temperature dependent SHG measurements on MnBi 2 Te 4 flakes ranging from bulk to monolayer thickness. We find that the dominant SHG signal from MnBi 2 Te 4 is unexpectedly unrelated to both magnetic state and layer number. As a result, we suggest that surface SHG is the likely source of the observed strong SHG, whose symmetry matches that of the MnBi 2 Te 4 -vacuum interface. Our results highlight the importance of considering the surface contribution to inversion symmetry breaking in van der Waals centrosymmetric magnets.

2D magnets↗
DOE OSTI2023

Plasmonic Nonlinear Energy Transfer Enhanced Second Harmonic Generation Nanoscopy

Nonlinear optical response is a fingerprint of various physicochemical properties of materials related to symmetry, including crystallography, interfacial configuration, and carrier dynamics. However, the intrinsically weak nonlinear optical susceptibility and the diffraction limit of far-field optics restrict probing deep-subwavelength-scale nonlinear optics with measurable signal-to-noise ratio. Here, we propose an alternative approach toward efficient second harmonic generation (SHG) nanoscopy for SHG-active sample (zinc oxide nanowire; ZnO NW) using an SHG-active plasmonic nanotip. Our full-wave simulation suggests that the experimentally observed high near-field SHG contrast is possible when the nonlinear response of ZnO NW is enhanced and/or that of the tip is suppressed. Here, this result suggests possible evidence of quantum mechanical nonlinear energy transfer between the tip and the sample, modifying the nonlinear optical susceptibility. Further, this process probes the nanoscale corrosion of ZnO NW, demonstrating potential use in studying various physicochemical phenomena in nanoscale resolution.

36 MATERIALS SCIENCE↗
DOE OSTI2016

Resonantly enhanced second-harmonic generation using III–V semiconductor all-dielectric metasurfaces

Nonlinear optical phenomena in nanostructured materials have been challenging our perceptions of nonlinear optical processes that have been explored since the invention of lasers. For example, the ability to control optical field confinement, enhancement, and scattering almost independently allows nonlinear frequency conversion efficiencies to be enhanced by many orders of magnitude compared to bulk materials. Also, the subwavelength length scale renders phase matching issues irrelevant. Compared with plasmonic nanostructures, dielectric resonator metamaterials show great promise for enhanced nonlinear optical processes due to their larger mode volumes. Here, we present, for the first time, resonantly enhanced second-harmonic generation (SHG) using gallium arsenide (GaAs) based dielectric metasurfaces. Using arrays of cylindrical resonators we observe SHG enhancement factors as large as 10 4 relative to unpatterned GaAs. At the magnetic dipole resonance, we measure an absolute nonlinear conversion efficiency of ~2 × 10 –5 with ~3.4 GW/cm 2 pump intensity. In conclusion, the polarization properties of the SHG reveal that both bulk and surface nonlinearities play important roles in the observed nonlinear process.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2025

Optomechanical Tuning of Second Harmonic Generation Anisotropy in Janus MoSSe/MoS 2 Heterostructures

Symmetry breaking in van der Waals materials enables the realization of quantum states and advanced device functionalities. Janus transition-metal dichalcogenides (TMDs) exhibit distinctive nonlinear optical properties due to their broken out-of-plane mirror symmetry. However, the dynamic control of second harmonic generation (SHG) anisotropy and resonance behavior via optical excitation remains elusive. Here, in this work, we investigate the SHG response of Janus MoSSe/MoS 2 heterostructures with 2H and 3R stackings. We can tune the SHG response by varying the incident photon wavelength from 800 to 1000 nm, which shows a resonance-dependent enhancement in intensity and a deviation from 6-fold symmetry, indicating wavelength-dependent anisotropy. The ratio between maximum and minimum intensity in the armchair directions, associated with the SHG anisotropy, reaches a value of 1.73 at the excitation wavelength of 1000 nm. Group theory analysis and first-principles calculations reveal that the observed anisotropy arises from optically induced strain. Our findings highlight the role of symmetry breaking and optical resonance contributing to the optomechanical tuning of SHG anisotropy, offering opportunities for developing Janus TMD-based photonic devices for frequency conversion, light generation, and optical switching.

Janus transition metal dichalcogenides↗
DOE OSTI2020

Attosecond science based on high harmonic generation from gases and solids

Recent progress in high power ultrafast short-wave and mid-wave infrared lasers has enabled gas-phase high harmonic generation (HHG) in the water window and beyond, as well as the demonstration of HHG in condensed matter. In this Perspective, we discuss the recent advancements and future trends in generating and characterizing soft X-ray pulses from gas-phase HHG and extreme ultraviolet (XUV) pulses from solid-state HHG. Then, we discuss their current and potential usage in time-resolved study of electron and nuclear dynamics in atomic, molecular and condensed matters.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2022

Optimization of echo-enabled harmonic generation toward coherent EUV and soft X-ray free-electron laser at NSLS-II

Prebunching via echo-enabled harmonic generation (EEHG) is an efficient way to reduce the radiator length and improve the longitudinal coherence as well as output stability in storage-ring-based free-electron lasers. We propose a conceptual design, which uses two straight sections to seed coherent extreme-ultraviolet (EUV) and soft X-ray emission with nearly MHz repetition rate. To take the large energy spread (10 –3 ) of a storage ring into account and utilize the existing bending magnets between the two straight sections as the first chicane, we implement a special modeling tool, named EEHG optimizer. This tool has been successfully applied to maximize the prebunching with a reasonably low energy modulation, thereby generating intense coherent X-ray pulses within a short undulator length (a few meters) limited by the available space of a storage ring. Numerical simulations confirm that the optimized EEHG parameters can be directly applied to generate a 10 MW scale peak power with fully coherent ultrafast EUV to soft X-ray pulses based on the NSLS-II parameters. This method can be easily extended to other types of diffraction-limited storage rings.

36 MATERIALS SCIENCE↗
DOE OSTI2016

Exploration of laser-driven electron-multirescattering dynamics in high-order harmonic generation

Multiple rescattering processes play an important role in high-order harmonic generation (HHG) in an intense laser field. However, the underlying multi-rescattering dynamics are still largely unexplored. Here we investigate the dynamical origin of multiple rescattering processes in HHG associated with the odd and even number of returning times of the electron to the parent ion. We perform fully ab initio quantum calculations and extend the empirical mode decomposition method to extract the individual multiple scattering contributions in HHG. We find that the tunneling ionization regime is responsible for the odd number times of rescattering and the corresponding short trajectories are dominant. On the other hand, the multiphoton ionization regime is responsible for the even number times of rescattering and the corresponding long trajectories are dominant. Moreover, we discover that the multiphoton- and tunneling-ionization regimes in multiple rescattering processes occur alternatively. Our results uncover the dynamical origin of multiple rescattering processes in HHG for the first time. As a result, it also provides new insight regarding the control of the multiple rescattering processes for the optimal generation of ultrabroad band supercontinuum spectra and the production of single ultrashort attosecond laser pulse.

74 ATOMIC AND MOLECULAR PHYSICS↗
DOE OSTI2011

Mapping quadrupole collectivity in the Cd isotopes: The breakdown of harmonic vibrational motion

The stable Cd isotopes have long been used as paradigms for spherical vibrational motion. Extensive investigations with in-beam {gamma} spectroscopy have resulted in very-well-established level schemes, including many lifetimes or lifetime limits. A programme has been initiated to complement these studies with very-high-statistics {beta} decay using the 8{pi} spectrometer at the TRIUMF radioactive beam facility. The decays of {sup 112}In and {sup 112}Ag have been studied with an emphasis on the observation of, or the placement of stringent limits on, low-energy branches between potential multi-phonon levels. A lack of suitable 0{sup +} or 2{sup +} three-phonon candidates has been revealed. Further, the sum of the B(E2) strength from spin 0{sup +} and 2{sup +} states up to 3 MeV in excitation energy to the assigned two-phonon levels falls far short of the harmonic-vibrational expectations. This lack of strength points to the failing of collective models based on vibrational phonon structures.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2011

Quantum Optimal Control of Single Harmonic Oscillator under Quadratic Controls together with Linear Dipole Polarizability: A Fluctuation Free Expectation Value Dynamical Perspective

In this study, the optimal control equations for one dimensional quantum harmonic oscillator under the quadratic control operators together with linear dipole polarizability effects are constructed in the sense of Heisenberg equation of motion. A numerical technique based on the approximation to the non-commuting quantum mechanical operators from the fluctuation free expectation value dynamics perspective in the classical limit is also proposed for the solution of optimal control equations which are ODEs with accompanying boundary conditions. The dipole interaction of the system is considered to be linear, and the observable whose expectation value will be suppressed during the control process is considered to be quadratic in terms of position operator x. The objective term operator is also assumed to be quadratic.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2011

Studying fast wave propagation and absorption at any cyclotron harmonic using a 2D finite element area coordinates wave equation solver

Fourier analysis in the poloidal direction is a standard ingredient in present-day 2D wave equation solvers describing radio frequency waves in hot tokamak plasmas. Although a powerful and elegant technique, Fourier analysis has the disadvantage that a large number of modes is needed to describe the field pattern on a magnetic surface if a short wavelength mode exists on any - even very small - subpart of the particle trajectory. The present paper examines the potential of a method that does not suffer from this drawback: a finite element technique relying on simple linear or cubic area base functions that are defined on irregular elementary surfaces of triangular shape. The wave equation is solved in its weak Galerkin variational form and for realistic 2D tokamak geometry, accounting for the toroidal curvature but assuming the toroidal angle is ignorable, allowing to study the wave pattern for each of the independent toroidal modes excited by the antenna individually.The locally uniform full hot plasma dielectric tensor to all orders in finite Larmor radius was adopted. As the main intended application is the study of fast wave behavior (heating and current drive) at arbitrary harmonics, the wave vector complex amplitude appearing in the dielectric tensor is determined through a local dispersion root evaluation. High frequency fast wave propagation and damping is provided as an illustration in view of possible application of this type of current drive in future high density reactor-like tokamaks.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2012

Optimal control equations for the one dimensional quantum harmonic oscillator under the influence of external dipole effects

This study focuses on the construction of the optimal control equations for one dimensional quantum harmonic oscillator under the influence of external dipol effects and the solution of these equations by using Fluctuationlessness Theorem and a recently developed scheme called Characteristic Evolutions Method. The dipole function of the system has been taken as odd cubic spatial polynomial. Optimal control equations of the system under consideration are constructed by using expectation values of the position and the momentum operators instead of the wave and costate evolutions. It is shown that, the resulting equations are systems of ordinary differential equations and there are infinitely many ODEs. The solution strategy is based on the approximation of the expectation values for the operator products in the sense of Fluctuationlessness Theorem.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2013

A high-order harmonic generation apparatus for time- and angle-resolved photoelectron spectroscopy

We present a table top setup for time- and angle-resolved photoelectron spectroscopy to investigate band structure dynamics of correlated materials driven far from equilibrium by femtosecond laser pulse excitation. With the electron-phonon equilibration time being in the order of 1–2 ps it is necessary to achieve sub-picosecond time resolution. Few techniques provide both the necessary time and energy resolution to map non-equilibrium states of the band structure. Laser-driven high-order harmonic generation is such a technique. In our experiment, a grating monochromator delivers tunable photon energies up to 40 eV. A photon energy bandwidth of 150 meV and a pulse duration of 100 fs FWHM allow us to cover the k-space necessary to map valence bands at different k{sub z} and detect outer core states.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2013

Optical breakdown threshold in nanosecond high repetition second harmonic generation by periodically poled Mg-doped LiTaO{sub 3} crystal

Our study shows that a local temperature increase of ≈1 K in the crystal lattice caused by second harmonic generation (SHG) and two-photon absorption of 532 nm radiation at the rear of periodically poled stoichiometric LiTaO{sub 3} crystal by changing spontaneous polarization induces a pyroelectric field ≈10 kV/cm, accelerating free electrons to an energy of ≈10 eV, followed by optical breakdown and crystal damage. Theoretical analysis leads to an explicit expression for the threshold laser fluence of optical breakdown giving ≈1.2 J/cm{sup 2} for 1064 nm input radiation in 6.8 kHz pulsed SHG operation, agreeing well with the experimentally found value ≈1.32 J/cm{sup 2}.

36 MATERIALS SCIENCE↗
DOE OSTI2013

The role of Rydberg and continuum levels in computing high harmonic generation spectra of the hydrogen atom using time-dependent configuration interaction

We study the role of Rydberg bound-states and continuum levels in the field-induced electronic dynamics associated with the High-Harmonic Generation (HHG) spectroscopy of the hydrogen atom. Time-dependent configuration-interaction (TD-CI) is used with very large atomic orbital (AO) expansions (up to L= 4 with sextuple augmentation and off-center functions) to describe the bound Rydberg levels, and some continuum levels. To address the lack of ionization losses in TD-CI with finite AO basis sets, we employed a heuristic lifetime for energy levels above the ionization potential. The heuristic lifetime model is compared against the conventional atomic orbital treatment (infinite lifetimes), and a third approximation which is TD-CI using only the bound levels (continuum lifetimes go to zero). The results suggest that spectra calculated using conventional TD-CI do not converge with increasing AO basis set size, while the zero lifetime and heuristic lifetime models converge to qualitatively similar spectra, with implications for how best to apply bound state electronic structure methods to simulate HHG. The origin of HHG spectral features including the cutoff and extent of interference between peaks is uncovered by separating field-induced coupling between different types of levels (ground state, bound Rydberg levels, and continuum) in the simulated electronic dynamics. Thus the origin of deviations between the predictions of the semi-classical three step model and the full simulation can be associated with particular physical contributions, which helps to explain both the successes and the limitations of the three step model.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2013

Analysis of carrier behavior in C60/P(VDF-TrFE) double-layer capacitor by using electric-field-induced optical second-harmonic generation measurement

By using displacement current measurement (DCM) and electric-field-induced optical second-harmonic generation (EFISHG) measurement, we studied the carrier behavior in the indium-tin oxide (ITO)/Poly(vinylidene fluoride-trifluoroethylene) (P(VDF-TrFE))/C60/Au(or Al) capacitors. Two DCM peaks appeared asymmetrically at around −35.5 V and +30.0 V in the dark. Correspondingly, the EFISHG response from the C60 layer was observed, but the peak positions were different with respect to DCM ones. The results show that the spontaneous polarization of the ferroelectric P(VDF-TrFE) polymeric layer directly affects the electric field in the C60 layer, and thus governs the carrier motion in this layer. As a result, the C60 layer serves like an insulator in the dark, while electrons and holes are captured and released at the interface in response to the turn-over of spontaneous polarization of ferroelectric layer. On the other hand, under white light illumination, C60 layer serves like a conductor due to the increase of photogenerated mobile carriers, and these carriers dominate the carrier motions therein. Our findings here will be helpful for analyzing carrier behaviors in organic electronic devices using ferroelectric polymers.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗