Pockels Effect Research Articles

Unveiling the Pockels coefficient of ferroelectric nitride ScAlN

Nitride ferroelectrics have recently emerged as promising alternatives to oxide ferroelectrics due to their compatibility with mainstream semiconductor processing. ScAlN, in particular, has exhibited remarkable piezoelectric coupling strength (K2) comparable to that of lithium niobate, making it a valuable choice for RF filters in wireless communications. Recently, ScAlN has sparked interest in its use for nanophotonic devices, chiefly due to its large bandgap facilitating operation in blue wavelengths coupled with promises of enhanced nonlinear optical properties such as a large second-order susceptibility (χ(2)). It is still an open question whether ScAlN can outperform oxide ferroelectrics concerning the Pockels effect—an electro-optic coupling extensively utilized in optical communications devices. In this paper, we present a comprehensive theoretical analysis and experimental demonstration of ScAlN’s Pockels effect. Our findings reveal that the electro-optic coupling of ScAlN, despite being weak at low Sc concentration, may be significantly enhanced and exceed LiNbO3 at high levels of Sc doping, which points the direction of continued research efforts to unlock the full potential of ScAlN.

Integrated Pockels Modulators on Silicon Photonics Platform

AbstractElectro‐optic (EO) modulators are essential components in various fields, including optical communication, free‐space communication, microwave photonics, sensing, and light detection and ranging. The EO modulation enables the fast conversion of electric signals into optical signals, facilitating the precise manipulation of light. With advancements in fabrication processing techniques, next‐generation integrated EO modulators have demonstrated substantial improvements in modulation efficiency, bandwidth, and footprint. Here, the latest research progress in integrated EO modulation, focusing on the principle of the Pockels effect, key modulation metrics, novel EO thin‐film material platforms, and innovative device architectures is overviewed. Finally, it is evaluated different schemes and provide perspectives on future trends in developing integrated EO modulators, highlighting both the advantages and challenges of integrated EO modulation, including waveguide and electrode engineering, integrated methods, and other applications for large‐scale photonic integrated circuits.

Surface charge characteristics in a three-electrode surface dielectric barrier discharge

The surface charge characteristics in a three-electrode surface dielectric barrier discharge (SDBD) are experimentally investigated based on the Pockels effect of an electro-optical crystal. The actuator is based on the most commonly used SDBD structure for airflow control, with an exposed electrode supplied with sinusoidal AC high voltage, a grounded encapsulated electrode and an additional exposed electrode downstream supplied with DC voltage. The ionic wind velocity and thrust can be significantly improved by increasing DC voltage although the plasma discharge characteristics are virtually unaffected. It is found that the negative charges generated by the discharge of the three-electrode structure accumulate on the dielectric surface significantly further downstream in an AC period compared to the actuator with a two-electrode structure. The negative charges in the downstream region increase as the DC voltage increases. In addition, the DC voltage affects the time required for the positive charge filaments to decay. The positive DC voltage expands the ionic acceleration zone downstream to produce a greater EHD force. The amplitude of the DC voltage affects the electric field on the dielectric surface and is therefore a key factor in the formation of the EHD force. Further research on the surface charge characteristics of a three-electrode structure has been conducted using a pulse power to drive the discharge, and the same conclusions are drawn. This work demonstrates a link between surface charge characteristics and EHD performance of a three-electrode SDBD actuator.

Double rectangular-grooves metasurface for highly efficient electric modulation

With the rapid development of optical communication, how to achieve efficient modulation (fast response speed and high modulation depth) of optical signals has attracted more and more attention from researchers. Among all electro-optical modulator (EOM) designs, the electro-optical metasurface is undoubtedly a competitive solution for optical signal modulation in free space. Although current research on electro-optical metasurfaces has realized improving response speed owing to the Pockels effect, there are still difficulties in achieving high modulation depth under CMOS-compatible voltage and developing rational designs of metasurfaces to achieve voltage application that trigger electro-optical effects. In this work, an ultrahigh-Q factor BaTiO3 (BTO) electro-optical metasurface, which consists of a periodic array of rectangular grooves, was designed to provide a feasible solution to address these shortcomings. Based on bound states in the continuum (BIC) theory, ultrahigh-Q factor (2.87 × 105) quasi-BIC (Q-BIC) was obtained around 1550 nm by breaking the in-plane symmetry of the two rectangular grooves in a unit cell, which could significantly deepen the modulation depth. The concave and continuous structure of rectangular grooves made the application of voltage more efficient. The simulation results show that an optical signal modulation in free space with a modulation depth of 100% could be achieved. Multipole decomposition indicated that toroidal dipole (TD) was dominant in this Q-BIC. Our work may further promote the development of electro-optical modulation towards faster and deeper modulation.

Exploring the impact of heterocyclic bridges for tuning the amplitudes of Nonlinear optical properties under Gas, IEFPCM and COSMO solvent models

Nonlinear optical (NLO) materials are a distinctive class of materials due to their NLO response and wide range of applications. We present a systematic quantum chemical study for designing triphenylamine based derivatives (1Ph to 3PhDTDZ) by modifying central bridge with various size and types of heterocyclic rings. Density functional theory (DFT) method is used to calculate the NLO properties including linear and third-order NLO polarizabilities (α and γ) by using M06-2X functional coupled with the 6-311G** basis set. The calculation results predict that among the designed compounds, 1PhDTDZ has the highest third-order NLO polarizability of 2347.7 x 10−36 esu and lowest transition energy of 1.828 eV. On the other hand, 3PhDTDZ has a greater amplitude (108.5 x 10−24 esu) of static linear polarizability (αiso). We also computed frequency-dependent third-order NLO polarizability values at various laser wavelengths (1500 nm to 1970 nm). This provides valuable information about the complex interaction between light and matter. Dynamic second hyperpolarizability of electro-optic Pockels effect (EOPE effect, (γ (−ω; ω,0,0)) is calculated at 1500 nm laser wavelength with a larger γ-amplitude of 36708.4 x 10−36 esu. The effect of solvent on α and γ has also been the primary focus of this research. An extensive solvation impact has been studied using integral equation formalism Polarizable Continuum Model (IEFPCM) and Conductor-like Screening Model (COSMO). Magnitudes of αiso and 〈γ〉 have shown variation from gas to solvent methods. While among solvents, amplitudes are seen 3.87 % to 11.29 % greater under the effect of COSMO-methanol than PCM-methanol. The Frontier molecular orbital (FMO) studies found a significant decrease in energy band gaps from 5.75 eV to 2.98 eV. Since our systems exhibit remarkable photovoltaic properties, they can be used as dye-sensitized solar cells (DSSCs). Their open circuit voltage (VOC) ranging from 1 eV to 4 eV. Thus, our designed triphenylamine based derivatives with distinct central heterocyclic bridges showcase remarkable efficiency as NLO materials, with additional benefits of exhibiting good photovoltaic properties.

Cavity-dumped femtosecond Yb:CALYO laser based on SESAM assisted Kerr-lens mode locking

In this paper, we present the demonstration of a cavity-dumped Kerr-lens mode-locked femtosecond oscillator based on an Yb:CALYO crystal for the first time. With the assistance of an SESAM, the Kerr-lens mode-locked Yb:CALYO laser delivered pulses with an average power of 2.8 W at a repetition rate of 61.3 MHz, corresponding to a pulse energy of 45.6 nJ. By employing a Pockels Cell consisting of dual β-BBO crystals and a thin film polarizer for cavity dumping, laser pulses of 280 nJ were achieved at both 1 MHz and 10 kHz repetition rates. The shortest pulse duration measured was 233 fs without external compression, resulting in a peak power of 1.06 MW.

Octave-spanning Kerr soliton frequency combs in dispersion- and dissipation-engineered lithium niobate microresonators

Dissipative Kerr solitons from optical microresonators, commonly referred to as soliton microcombs, have been developed for a broad range of applications, including precision measurement, optical frequency synthesis, and ultra-stable microwave and millimeter wave generation, all on a chip. An important goal for microcombs is self-referencing, which requires octave-spanning bandwidths to detect and stabilize the comb carrier envelope offset frequency. Further, detection and locking of the comb spacings are often achieved using frequency division by electro-optic modulation. The thin-film lithium niobate photonic platform, with its low loss, strong second- and third-order nonlinearities, as well as large Pockels effect, is ideally suited for these tasks. However, octave-spanning soliton microcombs are challenging to demonstrate on this platform, largely complicated by strong Raman effects hindering reliable fabrication of soliton devices. Here, we demonstrate entirely connected and octave-spanning soliton microcombs on thin-film lithium niobate. With appropriate control over microresonator free spectral range and dissipation spectrum, we show that soliton-inhibiting Raman effects are suppressed, and soliton devices are fabricated with near-unity yield. Our work offers an unambiguous method for soliton generation on strongly Raman-active materials. Further, it anticipates monolithically integrated, self-referenced frequency standards in conjunction with established technologies, such as periodically poled waveguides and electro-optic modulators, on thin-film lithium niobate.

An optical measurement method of DC total electric field with space charges based on probe self-rotation modulation

Researching the measurement of DC total electric field with space charges (Poisson field) can help establish a monitoring system for the electromagnetic environment of UHVDC transmission lines and protect the health of the ecological environment. This paper proposes a DC total electric field optical measurement method based on the Pockels effect and probe self-rotation modulation. It can address the issues of internal charge drift and external charge accumulation in traditional optical probes when measuring DC electric fields with space charges. Theoretical analysis was conducted on measurement under probe rotation, and the optical modulation system was integrated into a probe with dimensions of 60 mm × 30 mm × 20 mm. A self-rotating platform for the probe was designed, and the influence of rotation mode on the results was analyzed. It was found that the sensitivity was higher when using the horizontal-horizontal mode. The signal processing system was tested, showing that the probe retained around 50 % of its original output when rotating at low speeds (frequency 1–3 Hz), fully meeting the measurement requirements. The test platform has been constructed, and the probe’s sensitivity was assessed under an AC electric field and validated under a DC electric field. Finally, the optical method proposed in this paper was used to measure the DC total electric field with space charges under a small model of a unipolar HVDC transmission line. Five locations under the line were selected as measurement points, and the results were compared with those obtained from a field mill probe and numerical simulation. This comparison indicates that the proposed method agrees with experimental and simulation results. The average sensitivity of the self-rotating optical probe was 3.71 mV/(kV/m). The error did not exceed 5 % in high-field strength areas (above 20 kV/m) and was also controlled within 15 % in low-field strength areas (below 20 kV/m).

Exploring the ON/OFF nonlinear optical (NLO) response in tetracene-based chromophores: A DFT study on solvent and frequency-dependent NLO properties for switching applications

Tetracene-based nonlinear optical (NLO) materials are an ambient field of interest in optoelectronic technology. Inspired by this material, we theoretically designed D-D-A framework molecules (ZO and ZO-1 to ZO-16) with auxiliary donor and acceptor screening of solo tetracene linear surface and investigated their reactivity, electrical properties, solvent-dependent optical and ON/OFF NLO properties utilizing DFT simulations. The CPCM and IEFPCM model is used to examine how entire spectrum of medium polarity, ranging from less polar to more polar solvents (chloroform (ε = 4.71) < tetrahydrofuran (ε = 7.43) < DMSO (ε = 46.83 < water (ε = 78.36)) affect the optical absorption and NLO characteristics (βtot, αtot, and μtot) of suggested compounds (ZO and ZO-1 to ZO-16). Furthermore, natural bond orbital analysis (NBO) and topological analysis (MEP, ELF, and LOL) were used to explain the NLO results. Regarding the charge transfer robustness, ZO-9, a promising tetracene derivative, is identified as an appealing second-order NLO candidate, with the lowest energy gap (1.642 eV) and largest λmax (546.692 nm) among all investigated derivatives. Moreover, the solvent-dependent optical absorption spectrum shows that polar solvent (THF) alleviates the λmax from 273.081 nm to 707.511 nm in ZO-11. Similarly, solvent also influences the NLO properties in all designed compounds, especially in ZO-9, which displayed giant βtotal = 7.244 × 105 in chloroform, 8.640 × 105 in THF, 1.153 × 106 in DMSO, and 1.180 × 106 in water as well as in gas (1.993 × 105). Additionally, the results of the second harmonic generation (SHG) β(−2ω, ω, ω) and the electro-optical Pockels effect (EOPE) β(−ω,ω,0) computed at the frequencies of ω = 1064 nm (0.0428 au) and ω = 532 nm (0.0856 au) validates that all tetracene based derivatives are excellent NLO candidates for laser working condition and switching applications.

Phenyl-urea chromophores: DFT insights into nonlinear optical enhancement

The present investigation has examined the nonlinear optical (NLO) responses of molecules based on phenyl-urea. The optimized geometries of complexes: (4-nitrophenyl) urea (PU1), 1-methyl-3-(4-nitrophenyl) urea (PU2), and 1,1-dimethyl-3-(4-nitrophenyl) urea (PU3) are extracted using M06–2X/6–311++ g (d, p) level of theory. The estimated nonlinear optical responses (NLO) of the compounds given are based on static and dynamic hyperpolarizabilities, which are reinforced by the dipole moment, polarizabilities, global reactivity parameters, HOMO-LUMO gap, molecular electrostatic potentials (MEP), and βvec. Comparing PU1, PU2, and PU3 to reference substances like urea and p-nitroaniline, a considerably higher NLO activity is estimated. Out of all the compounds, PU3 has the largest NLO response. Such a significant NLO reaction can be attributed to a small HOMO-LUMO gap and high charge transfer. Second-harmonic generation (SHG) and electro-optic Pockel's effect (EOPE) are being explored for dynamic NLO responses. These compounds that are bases of phenyl-urea exhibit a very significant quadratic nonlinear optical response.

Strong terahertz pulse induced Pockels and Kerr effect in crystalline quartz for ultrafast pulse switching

Ultrafast pulse switching is one of the key elements for ultrahigh speed communication technology. We study the terahertz (THz) induced birefringence response on the laser pulse through the quartz with different THz electric field strength. The magnitude of the observed Pockels signals scales linearly with the THz field amplitude, while the Kerr signals scale quadratically with the THz field amplitude. We demonstrate that the quartz is a good candidate for polarization modulation of 800 nm laser pulse, which has the advantages of low-cost, large bandgap, and negligible dispersion. Furthermore, our investigation finds application beyond ultrafast polarization switching, and the THz-induced polarization gating technique works as a tool for intense THz pulse detection.

Mode-folded thin-film lithium niobate phase shifter for channel scalable optical interconnect with high switching efficiency.

Paralleled optical interconnection has been widely used in optical transceivers. Reconfigurable photonic integration with scalable channel numbers is thus highly useful in timely adjusting the link capacity to the changing traffic patterns in data centers or high-performance computing (HPC) systems. In this paper, a 1×8 Mach-Zehnder switch (MZS) over thin-film lithium niobate is proposed and experimentally demonstrated for 1-to-8 channel scalable optical interconnects, with high switching efficiency through utilizing the mode-folded phase shifter. The three-mode phase shifter recirculates the light three times, undergoing phase changing with different waveguide modes. Simultaneously, the multimode waveguiding within the phase shifter results in a pronounced enhancement of the optical field confinement, further improving the Pockels effect for all modes. A 3.5-time improvement of the switching efficiency is experimentally demonstrated, exhibiting a low Vπ·L of 0.6 V⋅cm. The proposed MZS also features low channel crosstalk (below -20 dB over 1530-1565 nm) and nanosecond-order switching time, paving the way towards channel scalable and versatile MSA-compatible optical interconnect.

Low-frequency electric field sensing via superposition orbital angular momentum light.

The polarization and orbital angular momentum (OAM) degrees of freedom carried by light have important applications in precision optical measurement and optical sensing. Here we show that the electro-optic Pockels effect of a magnesium-doped lithium niobate (MgO:LiNbO3) crystal can be used to measure a low-frequency electric field. By exploiting the rotation property of superposition OAM light, we experimentally observe that the minimum measured precision of electric field intensity is about 0.18 V/m. This study offers a method to perform low-frequency electric field sensing.

Voltage-induced modulation of interfacial ionic liquids measured using surface plasmon resonant grating nanostructures.

We have used surface plasmon resonant metal gratings to induce and probe the dielectric response (i.e., electro-optic modulation) of ionic liquids (ILs) at electrode interfaces. Here, the cross-plane electric field at the electrode surface modulates the refractive index of the IL due to the Pockels effect. This is observed as a shift in the resonant angle of the grating (i.e., Δϕ), which can be related to the change in the local index of refraction of the electrolyte (i.e., Δnlocal). The reflection modulation of the IL is compared against a polar (D2O) and a non-polar solvent (benzene) to confirm the electro-optic origin of resonance shift. The electrostatic accumulation of ions from the IL induces local index changes to the gratings over the extent of electrical double layer (EDL) thickness. Finite difference time domain simulations are used to relate the observed shifts in the plasmon resonance and change in reflection to the change in the local index of refraction of the electrolyte and the thickness of the EDL. Simultaneously using the wavelength and intensity shift of the resonance enables us to determine both the effective thickness and Δn of the double layer. We believe that this technique can be used more broadly, allowing the dynamics associated with the potential-induced ordering and rearrangement of ionic species in electrode-solution interfaces.

Design of BTO-Based Compact Electro-Optic Modulator

We present a compact electro-optic (EO) modulator design exploiting the strong Pockels effect of Barium Titanate (BaTiO3 or BTO). This proposed structure, using parallel-plate electrodes tightly sandwiching the EO media, could achieve V[Formula: see text]L value as low as 35[Formula: see text]V[Formula: see text]m, a significant reduction from current photonic-integrated Pockels EO modulators with V[Formula: see text]L value around 1[Formula: see text]V⋅cm. Compared to plasmonic EO modulators, this proposed structure offers much lower optical loss. The small footprint and low-loss properties of this modulator design allow for its future embodiment in photonic-integrated CMOS circuits.

Electro-optic Q-switched Yb:YAG thin disk laser with widely continuously tunable pulse width at a stable output of over 80 W

We report an electro-optic Q-switched Yb:YAG thin disk laser with widely continuously tunable pulse width ranging from 16.4 to 432.2 ns. The tunability was achieved through a simple and convenient method by rotating both the Pockels cell and the quarter-wave plate at either identical or slightly different angles. Based on the 72-pass pump module and 224.4 W laser diode pumping source, a pulsed output of over 80 W was attained at a repetition rate of 100 kHz. The output power and output pulse train remained stable in the whole tuning range. The corresponding output power was 82.7 W and 84.4 W for the minimum and maximum pulse width, respectively. A model which was exceedingly more accurate than previous models describing the tunability of the pulse width were proposed and the simulation results of this model exhibited strong agreement with the experimental measurements.

Impact of doping with organic dopants and mixed doping with alkali metals and organic dopants on the absorption, electronic, optoelectronic, thermodynamic and nonlinear optical properties of dibenzo[b,def]chrysene in gaseous media: DFT and TD-DFT studies.

In this study, we evaluate the geometrical, absorption, optoelectronic, electronic, nonlinear optical (NLO) and thermodynamic properties of dibenzo[b,def]chrysene molecule derivatives by means of DFT and TD-DFT simulations. In view of the aim of producing new high-performance materials for non-linear optics (NLO) by doping test, two types of doping were used. We obtained six derivatives by doping with organic dopants (Nitro, amide and ticyanoethenyl) and mixed alkali metal (potassium) and organic dopants. Doping with organic dopants produced molecules A, B and C, respectively when substituting one hydrogen with nitro (NO2), amide (CONH2) and tricyanoethenyl (C5N3) groups, while mixed doping involved considering A, B and C and then substituting two hydrogens with two potassiums to obtain compounds D, E and F respectively. The negative values of the various interaction energies calculated for all the doped molecules show that they are all stable, but also that molecules C and F are the most stable in the case of both dopings. The gap energies calculated at the B3LYP level of theory are all below 3eV, which means that all the molecules obtained are semiconductors. Better still, compounds C and F, with gap energies of 1.852eV and 1.204eV, respectively, corresponding to decreases of 35.67% and 58.18% in gap energy compared with the pristine molecule, are more reactive than the other doped molecules. Mixed doping is therefore a highly effective way of narrowing the energy gap and boosting the semiconducting character and reactivity of organic materials. Optoelectronic properties have also been improved, with refractive index values higher than those of the reference material, glass. This shows that our compounds could be used under very high electric field conditions of the order of 4.164 109V.m-1 for C and 7.410 109V.m-1 for F the highest values at the B3LYP level of theory. The maximum first-order hyperpolarizability values for both types of doping are obtained at the CAM-B3LYP level of theory by C: 10-30esu and by F: 10-30esu, and second-order values are also given by these same compounds. These values are higher than the reference value, which is urea, making our compounds potential candidates for high-performance NLO applications. In dynamic mode and at a frequency of 1064nm, at the CAM-B3LYP level of theory, the highest dynamic hyperpolarizability coefficients were obtained by C and F. Hyper-Rayleigh scattering , coefficients of the electro-optical Pockel effect (EOPE), EFISHG, third-order NLO-response degree four-wave mixing , quadratic nonlinear refractive index n2 were also calculated. The maximum values of n2 are obtained by C (6.13 10-20 m2/W) and F (6.60 10-20 m2/W), these values are 2.24 times higher than that of fused silica which is the reference for degenerate four-wave mixing so our molecules could also have applications in optoelectronics as wavelength converters, optical pulse modulators and optical switches. Using the DFT method, we were able to determine the optimized and stable electronic structures of doped dibenzo[b,def]chrysene derivatives in the gas phase. We limited ourselves to using the proven B3LYP and CAMB3LYP levels of theory for calculating electronic properties, and non-linear optics with the 6-311G + + (d,p) basis set, which is a large basis set frequently used for these types of compound. Gaussian 09 software was used to run our calculations, and Gauss View 6.0.16 was used to visualize the output files. TD-DFT was also used to determine absorption properties at the B3LYP level of theory, using the same basis set.

Ultra-fast perovskite electro-optic modulator and multi-band transmission up to 300 Gbit s−1

The gap between the performance of optoelectronic components and the demands of fiber-optic communications has narrowed significantly in recent decades. Yet, the expansion of data communications traffic remains substantial, with fiber-link speeds increases anticipated in the near future. Here, we demonstrate an ultra-high-speed electro-optic waveguide modulator constructed using a thin film of lanthanum-modified lead zirconate titanate with a ferroelectric phase exhibiting a strong Pockels effect. The modulator has a wide optical window; thus, the modulation was demonstrated for 1550 and 1310 nm wavelengths. This device showed electro-optical intensity signaling with line rates of 172 Gbit s−1, in conjunction with on–off keying modulation; this performance could be increased to 304 Gbit s−1 using four-level pulse modulation. The signaling performance of this modulator was found to be robust, with stable performance at temperatures as high as 100 °C. This technology is expected to have applications in a wide range of classical optoelectronic devices and in quantum science and technology.

Simultaneous measurements of temporal evolutions of the voltage and the current on the load of the Seoul National University X-pinch device using the optics-based systems.

Optics-based measurement systems have been developed to measure the voltage and the current on a load of the Seoul National University X-pinch device [Ryu etal., Rev. Sci. Instrum. 92, 053533 (2021)]. A lithium niobate crystal that changes the polarization state of the propagating laser beam due to the Pockels effect induced by the electric field across the crystal, thus capable of measuring the voltage, is located next to the load. For the current measurement, an optic fiber is wound around the load to detect the change in the polarization state of the propagating laser beam due to the Faraday rotation induced by the magnetic field. As both voltage and current measurement systems utilize optical effects, the sensors, i.e., the lithium niobate crystal and the optic fiber, do not require any electrical grounds, in contrast to circuit-based probes, such as voltage dividers or Rogowski grooves. This facilitates an easy access to shield other required electronic devices, such as lasers and photodetectors, from the electromagnetic interference generated by the X-pinch power system. In addition, the sensors can be placed in close proximity to the load with fewer concerns on the electrical insulation. Temporal evolutions of the simultaneously measured voltage and current on the load of the X-pinch are successfully obtained and discussed.

Styrene monomer as potential material for design of new optoelectronic and nonlinear optical polymers: density functional theory study.

Using density functional theory, we have studied the intrinsic properties of styrene. First, we determine the optimized structures, structural parameters and thermodynamic properties to make our simulations more realistic to experimental results and check the stability. Second, we investigate optoelectronic, electronic and global descriptors, transport properties of holes and electrons, natural bond orbital analysis, absorption and fluorescence properties. Finally, we study nonlinear optical (NLO) properties: first- and second-order hyperpolarizability, second and third-order optical susceptibilities, hyper-Rayleigh scattering hyperpolarizability, electro-optical Pockel effect, direct current Kerr effects and quadratic refractive index. The bandgap energy E g = 5.146 eV and dielectric constant show that styrene is a good insulator with an average electric field value of 4.43 × 108 Vm-1. Thermodynamic findings show that our molecule is thermodynamically and chemically stable. Electron and hole reorganization energies of 0.393 and 0.295 eV, respectively, show that styrene is more favourable to hole transport than electron transport. Styrene is transparent with linear refractive index n = 1.750 and quadratic n 2 = 1.748 × 10-20 m2 W-1. At the NLO, styrene has a non-zero value of which confirms the existence of first-order NLO activity. Globally the study shows that the styrene monomer is suitable for the architecture design of new polymer materials for NLO applications and optoelectronic by functionalization.