Silicon Nitride Thin Films Research Articles

Molecular dynamics simulation of uniaxial stretching for silicon nitride deposited by PECVD

In this paper, molecular dynamics (MD) simulation of uniaxial stretching for silicon nitride (SiNx) thin films deposited by plasma-enhanced vapor deposition (PECVD) was reported. The models utilized in uniaxial tensile simulations were from the MD analysis of amorphous SiNx deposition rather than direct modelling, which can better reflect the film actual characteristics. Voronoi cell analysis was carried out to estimate the porosity of the SiNx film. The temperature dependence of porosity, density, Young’s modulus, and fracture strain calculated by MD are in consistent with the experimental results. The higher the deposition temperature, the higher the density, the Young’s modulus, and the fracture strain, while the porosity shows the reverse trend. The dynamic variation of porosity and bond lengths during the stretching process were analyzed. Both the SiSi and SiN bonds demonstrate a tendency to become longer with the stretching process, indicating that these two atomic bonds are the main source of the film mechanical strength. This study established the link between the fabrication progress of SiNx thin films by PECVD and its mechanical properties by MD simulations. Proper utilization of the proposed approach can benefit the time and cost optimization of the PECVD process considering its various application in electronics.

Release of hydrogen gas from PECVD silicon nitride thin films in cavities of MEMS sensors

In this work we investigate the release of hydrogen gas from PECVD silicon nitride thin films in the cavities of MEMS based inertial sensors. Firstly, material characterization is conducted on two types of PECVD silicon nitride thin films to study the release of hydrogen gas with analytical methods. The release of hydrogen gas from these materials in encapsulated cavities of MEMS sensors, and its influence on the cavity pressure is also investigated experimentally with the help of functional microchips of MEMS based inertial sensors. Based on our findings and reports from other works, we propose steps by which change in the cavity pressure of the investigated microchip occurs over its different fabrication processes. We suggest that hydrogen gas is released form PECVD silicon nitride thin films at high temperatures during wafer bonding, which can then diffuse in cavities at low pressure over the lifetime of the sensor.

Properties of phosphorus-boron co-doped c-Si quantum dots/SiNx:H thin film prepared by PECVD in-situ deposition

Co-doping of phosphorus and boron elements into crystalline silicon quantum dot (c-Si QD) is an effective approach for enhancing the photoluminescence (PL) performance. In this paper, we report on the preparation of hydrogenated silicon nitride (SiNx:H) thin films embedded with phosphorus-boron co-doped c-Si QDs via plasma enhanced chemical vapor deposition route. Mixed dilution including hydrogen (H2) and argon (Ar) is applied in the in-situ deposition process for optimizing the deposition process. The P-B co-doped c-Si QD/SiNx:H thin films exhibit a wide range of PL spectra. The emission is greatly improved especially for the short-wavelength light when compared to the SiOx:H thin film containing P-B co-doped c-Si QDs. The effects of H2/Ar flow ratio on the structural and optical characteristics of thin films are systematically investigated through a series of characterizations. Experimental results show that various properties, such as crystallinity, QD size, optical band gap and doping concentrations, are effectively controlled by tuning H2/Ar flow ratio. Based on the red-shift of QCE-related PL peak, the successful P-B co-doping into Si QDs are verified. Finally, a comprehensive discussion has been made to analyze the influence of H2-Ar mixed dilution on the film growth and impurity doping in detail in this paper.

Enhanced vertical second harmonic generation from layered GaSe coupled to photonic crystal circular Bragg resonators

Abstract Two-dimensional (2D) layered materials without centrosymmetry, such as GaSe, have emerged as promising novel optical materials due to large second-order nonlinear susceptibilities. However, their nonlinear responses are severely limited by the short interaction between the 2D materials and light, which should be improved by coupling them with photonic structures with strong field confinement. Here, we theoretically design photonic crystal circular Bragg gratings (CBG) based on hole gratings with a quality factor as high as Q = 8 × 103, a mode volume as small as V = 1.18 (λ/n)3, and vertical emission of light field in silicon nitride thin film platform. Experimentally, we achieved a Q value up to nearly 4 × 103, resulting in a 1,200-fold enhancement of second harmonic generation from GaSe flakes with a thickness of 50 nm coupling to the CBG structures under continuous-wave excitation. Our work endows silicon-based photonic platforms with significant second-order nonlinear effect, which is potentially applied in on-chip quantum light sources and nonlinear frequency conversion.

Strain‐Engineered Unified SiNx Deposition for Device Passivation and Capacitance Dielectric in GaN Monolithic Microwave Integrated Circuit

Silicon nitride (SiNx) is used for device passivation and capacitance dielectric in GaN monolithic microwave integrated circuits. However, this is a conflicting requirement as passivation requires SiNx to cause tensile strain, and capacitance dielectric primarily demands a high breakdown voltage and large dielectric constant for SiNx, leading to a damaged AlGaN surface during deposition. Two independent SiNx depositions under two different conditions (silicon‐ and nitrogen‐rich) are usually carried out to meet both requirements. Herein, a solution for a unified deposition through interfacial strain analysis on an AlGaN/GaN heterostructure grown on 6H‐SiC imposed by thin film silicon nitride (SiNx), deposited using inductively coupled plasma chemical vapor deposition system is proposed. The strain analysis is done using Raman spectroscopy. The surface morphology of the SiNx is studied using atomic force microscopy. The breakdown characteristics are ascertained from measurements on high electron mobility transistors and metal–insulator–metal capacitors.

Suppression of crack formation in wafer-scale amorphous SiNx films by residual hydrogen-ligands manipulation

Plasma-Enhanced Chemical Vapor Deposition (PECVD) of amorphous silicon nitride (SiNx) thin films is a critical procedure in microelectronics serving as a surface passivation layer and dielectric barrier. However, intrinsic film stress continuously builds up along with PECVD growth, leading to film cracking. How to achieve crack-free PECVD amorphous SiNx film within a large thickness range remains a critical unresolved challenge in semiconductor industry. In this study, we revealed that high residual NH ligands from the NH3 precursor could induce excessive tensile strain at the SiNx/Si wafer interface and consequently aggravate SiNx film crack formation. With a heating pretreatment on the wafer, residual H ligands were effectively reduced to achieve homogenous chemical composition in SiNx film. As a result, the crack number declined ∼42% and the remaining crack length was substantially shorter in contrast to the original SiNx film. This work demonstrates the crucial role of residual ligands on internal strain regulation and points out a pathway to achieve crack-free PECVD SiNx films in industrial manufacturing.

Fabrication of humidity monitoring sensor using porous silicon nitride structures for alkaline conditions

Porous silicon nitride structures were fabricated for a humidity sensor. The porous silicon structures were fabricated by the metal-assisted chemical etching process, and the conformal silicon nitride thin film was deposited by the atomic layer deposition process. The optimized porous sensor with the 10 nm-thick silicon nitride thin film had a hydrophilic surface and compared to other sensors, had an excellent humidity sensing response. Especially, it showed a superior humidity sensing response at 1 kHz with fast response and recovery times of 13.3 s and 12.4 s, respectively, were observed. Based on the electrochemical impedance spectroscopy results, the equivalent circuits and humidity sensing mechanism were discussed. The chemical stability of the silicon nitride was characterized using Tafel analysis in alkaline electrolytes. Additionally, the sensor's humidity sensing capabilities were tested under cement-embedded conditions.

30‐2: Hydrogen Contents Controlled Silicon Nitride Passivation Layer for Highly Reliable IGZO Thin Film Transistor

To achieve a highly reliable IGZO transistor, silicon nitride thin film, as a passivation layer, has been extensively investigated in recent years, mainly due to readily available fabrication, along with good barrier performance. Here, we found out that larger amount hydrogen residuals was observed in the PECVD deposited SiNx passivation layer, more stable the IGZO oxide device exhibited, which is abnormal behavior to that commonly known in the literatures. Given that FT‐IR and SIMS analysis with various controlled SiNx thin film upon different deposition conditions, the plasma parameters such as power, pressure, source gas ratio could affect hydrogen ion diffusivity into the IGZO layer during the deposition and the chemical composition of hydrogen residuals in the resulting SiNx layer, which is more dominant, rather than absolute hydrogen contents itself, to the initial electrical properties as well the stability of the IGZO transistor device.

Non-stoichiometric silicon nitride for future gravitational wave detectors

Silicon nitride thin films were deposited at room temperature employing a custom ion beam deposition (IBD) system. The stoichiometry of these films was tuned by controlling the nitrogen gas flow through the ion source and a process gas ring. A correlation is established between the process parameters, such as ion beam voltage and ion current, and the optical and mechanical properties of the films based on post-deposition heat treatment. The results show that with increasing heat treatment temperature, the mechanical loss of these materials as well as their optical absorption decreases producing films with an extinction coefficient as low as k=6.2(±0.5)×10−7 at 1064 nm for samples annealed at 900 ∘C. This presents the lowest value for IBD SiN x within the context of gravitational wave detector applications. The mechanical loss of the films was measured to be ϕ=2.1(±0.6)×10−4 once annealed post deposition to 900 ∘C.

Ultra-broadband TM-pass polarizer based on anisotropic metamaterials in lithium niobate on an insulator.

An ultra-broadband TM-pass polarizer is designed, fabricated, and experimentally demonstrated based on subwavelength grating (SWG) metamaterials in a lithium niobate on an insulator (LNOI) platform. According to our simulation, the designed device is predicted to work at a 220 nm wavelength range from 1460 to 1680 nm, covering the S-, C-, L-, U-bands of optical fiber communication. By depositing and subsequently etching a silicon nitride thin film atop the LNOI chip, the SWG structures are formed successfully by using complementary metal-oxide semiconductor (CMOS)-compatible fabrication processes. The measured results show a high polarization extinction ratio larger than 20 dB and a relatively low insertion loss below 2.5 dB over a 130 nm wavelength range from 1500 to 1630 nm, mainly limited by the operation bandwidth of our laser source.

Hybrid integrated thin-film lithium niobate-silicon nitride electro-optical phased array incorporating silicon nitride grating antenna for two-dimensional beam steering.

This study proposes a solid-state two-dimensional beam-steering device based on an electro-optical phased array (EOPA) in thin-film lithium niobate (TFLN) and silicon nitride (SiN) hybrid platforms, thereby eliminating the requirement for the direct etching of TFLN. Electro-optic (EO) phase modulator array comprises cascaded multimode interference couplers with an SiN strip-loaded TFLN configuration, which is designed and fabricated via i-line photolithography. Each EO modulator element with an interaction region length of 1.56 cm consumed a minimum power of 3.2 pJ/π under a half-wave voltage of 3.64 V and had an estimated modulation speed of 1.2 GHz. Subsequently, an SiN dispersive antenna with a waveguide grating was tethered to the modulator array to form an EOPA, facilitating the out-of-plane radiation of highly defined near-infrared beams. A prepared EOPA utilized EO phase control and wavelength tuning near 1550 nm to achieve a field-of-view of 22° × 5° in the horizontal and vertical directions. The proposed hybrid integrated platform can potentially facilitate low-power and high-speed beam steering.

Silicon nitride thin-films deposited by radiofrequency reactive sputtering: Refractive index optimization with substrate cooling in a nitrogen-rich atmosphere

Silicon nitride (SiN) is widely used as a core material in optical waveguides due to its optical properties. The deposition of SiN thin-films by radiofrequency (RF) reactive sputtering is commonly used in low-temperature processes, where the thin-films optical properties can be optimized by controlling the deposition parameters (sputtering power, gases ratio, etc.). This work presents the deposition of several SiN thin-films by RF reactive sputtering with different sputtering powers (ranging from 180 W to 300 W), with a nitrogen-argon ratio of 16:4, and performing substrate cooling in a nitrogen-rich atmosphere immediately after deposition, consisting in keeping the substrate under 16 sccm of nitrogen until it reaches 25 °C. The refractive indices of the SiN thin-films were assessed through ellipsometry, obtaining a maximum refractive index of 1.906 at 400 nm. SiN thin-films were also analyzed by energy-dispersive spectroscopy (EDS) and atomic force microscopy (AFM).

Enhancing silicon-nitride formation through ammonolysis of silanes with pseudo-halide substituents.

Considering the challenges in reactivity, potential contamination, and substrate selectivity, the ammonolysis of traditional halosilanes in silicon nitride (SiN) thin film processing motivates the exploration of alternative precursors. In this pioneering study, we employed density functional theory calculations at the M06-2X/6-311++G(3df,2p) level to comprehensively screen potential pseudo-halide substituents on silane compounds as substitutes for conventional halosilanes. Initially, we investigated the ammonolysis mechanism of halosilanes, exploring factors influencing activation barriers, with the aid of frontier molecular orbital and charge density analyses. Subsequently, a systematic screening of silane substituents from group 14 to group 16 was conducted to identify pseudo-halides with low reaction barriers. Additionally, we examined the inductive effects on pseudohalide substituents. Using cluster models to represent the silicon surface validates the realistic prediction of ammonolysis barriers with a simplified model. Our findings indicate that pseudo-halide substituents from group 16, particularly those with electron-withdrawing groups, present as practical alternatives to traditional halosilanes in SiN thin film processing, including applications such as low-temperature atomic layer deposition (ALD) techniques.

Refractive index and thickness analysis of planar interfaces by prism coupling technique

Since 2022, various foundries are offering the manufacture of integrated photonic structures for the visible spectrum. As this technology continues to enter the market, there will be an increasing demand for accurate optical and dimensional characterization of these structures. To meet this demand, we have developed a highly precise optical characterization system based on the prism coupling technique, also known as m-lines spectroscopy, to investigate the optical properties of hydrogenated amorphous silicon nitride planar waveguides deposited by plasma-enhanced chemical vapor deposition. In this work, by combining visible spectroscopy with the prism coupling technique to excite modes that propagate resonantly in the waveguide via frustrated total internal reflection, using either parallel or perpendicularly polarized light beams, we were able to analyze the waveguide properties of silicon nitride thin films with an interfacial oxide layer. Furthermore, through numerical simulation of the bilayer structure, we calculate the waveguide’s refractive index and thickness, and determine the characteristics of the interfaces in terms of refractive index and thickness.

Enhancement of Conformality of Silicon Nitride Thin Films by ABC‐Type Atomic Layer Deposition

AbstractAtomic layer deposition (ALD) is utilized for the fabrication of miniaturized electronic devices with nanometer‐scale features. However, the conventional ALD process on high‐aspect‐ratio (HAR) substrates often results in the deposition of thin films with suboptimal conformality over the depth of the trench structures. This study introduces an ABC‐type ALD of silicon nitride (SiNx) employing vapor‐deliverable tert‐butyl chloride (TBC) as a surface inhibitor. Herein, density functional theory (DFT) calculations elucidate the surface reaction mechanisms, confirming the inhibition of the Si precursor by the t‐butyl moiety. Notably, the ABC‐type ALD exhibits reduced growth per cycle relative to the conventional process while avoiding detectable carbon contamination in the SiNx thin films. Applying this process to substrates with trench structures revealed a substantial improvement in conformality following the introduction of TBC. Furthermore, the step coverage of the deposited SiNx can be modulated by adjusting TBC exposure, enabling greater film thickness at the bottom than that at the top of the trench. The proposed method of modulating ALD processes holds potential for the high‐volume manufacturing of semiconductor devices with HAR structures.

Deterministic creation of strained color centers in nanostructures via high-stress thin films

Color centers have emerged as a leading qubit candidate for realizing hybrid spin-photon quantum information technology. One major limitation of the platform, however, is that the characteristics of individual color centers are often strain dependent. As an illustrative case, the silicon-vacancy center in diamond typically requires millikelvin temperatures in order to achieve long coherence properties, but strained silicon-vacancy centers have been shown to operate at temperatures beyond 1 K without phonon-mediated decoherence. In this work, we combine high-stress silicon-nitride thin films with diamond nanostructures to reproducibly create statically strained silicon-vacancy color centers (mean ground state splitting of 608 GHz) with strain magnitudes of ∼4×10−4. Based on modeling, this strain should be sufficient to allow for operation of a majority silicon-vacancy centers within the measured sample at elevated temperatures (1.5 K) without any degradation of their spin properties. This method offers a scalable approach to fabricate high-temperature operation quantum memories. Beyond silicon-vacancy centers, this method is sufficiently general that it can be easily extended to other platforms as well.

Effect of mechanical stress on the traps in silicon nitride thin films

Silicon nitride (SiNx) films were prepared by plasma enhanced chemical vapor deposition (PECVD) and different traps were induced in the films by tuning the RF power ratio during film deposition. Different initial stresses were applied to study the relationship between the mechanical stress and trap density. In-situ stress measurements showed that the film densification occurred above 400 °C during the first thermal cycling. The trap density extracted by the capacitance-voltage measurements showed its lowest value (−0.10 × 1011 cm−2eV−1) at the initial compressive stress (−730 MPa) of the film, which was explained by the hydrogen elimination due to the ion bombardment during the deposition in the compressive film. The increase in trap density (1.60 × 1011 cm−2eV−1) for the tensile films (480 MPa) is attributed to the lowering of the ion bombardment, which increases the formation of Si-H bonds. Interestingly, the performed carrier lifetime measurements for the compressive stressed SiNx films are higher (1200 μs) than the tensile stressed SiNx films (750 μs) which validate the trap density calculations. Fourier transform infrared spectra and refractive index measurements showed that the Si/N ratio increased with the increasing initial stress. Overall, we predict that our current study facilitates the formation of highly endured nitride films for different electrical and optoelectronic applications.

Effect of dehydrogenation on optical constants of silicon nitride thin films

This study presents annealing experiments conducted on near-stoichiometric hydrogenated amorphous silicon nitride (a-SiNx:H) thin films deposited via Plasma Enhanced Chemical Vapor Deposition. The heat treatment was carried out under an inert atmosphere within a temperature range of 400–1000 °C, with increments of 100 °C. After each annealing step, a-SiNx:H films were subjected to characterization using visible and FTIR spectroscopies, evaluating their optical and structural properties, as well as hydrogen concentration. The infrared analysis reveals a significant reduction in Si–H bond concentration within the temperature range of 400–700 °C, becoming virtually undetectable at higher annealing temperatures. Conversely, the N–H bond concentration primarily decreases at elevated temperatures, persisting at 23% of its initial value at 1000 °C. Optical constants were determined from transmittance spectra using a dispersion model that combines two unbounded Tauc-Lorentz oscillators. The refractive index experiences an increase up to 600 °C due to material densification, followed by a decrease at higher temperatures attributed to optical gap widening. Dispersion curves of the extinction coefficient reveal a wide sub-gap absorption band, which vanishes after a 900 °C annealing step, rendering the material suitable for waveguide applications.

Efficient and polarization insensitive edge coupler based on cascaded vertical waveguide tapers.

We propose an efficient and polarization-insensitive edge coupler (EC) constructed principally with two cascaded vertical waveguide tapers. The proposed edge coupler only requires ordinary 365 nm (i-line) ultraviolet source for lithography process. We experimentally demonstrate the proposed EC on two kinds of photonic integrated circuit (PIC) platforms: silicon nitride (Si3N4) and lithium niobate thin film. Both achieve polarization-insensitive fiber chip coupling efficiency of >70% in the C-band. Our proposed EC have the advantages of efficient, cost-saving, and easy to implement and could serve as an effective solution to facilitate low-loss chip-fiber coupling.

Employment of Silicon Nitride Films Prepared by DC Reactive Sputtering Technique for Ion Release Applications

In this work, silicon nitride (Si3N4) thin films were deposited on metallic substrates (aluminium and titanium sheets) by the DC reactive sputtering technique using two different silicon targets (n-type and p-type Si wafers) as well as two Ar:N2 gas mixing ratios (50:50 and 70:30). The electrical conductivity of the metallic (aluminium and titanium) substrates was measured before and after the deposition of silicon nitride thin films on both surfaces of the substrates. The results obtained from this work showed that the deposited films, in general, reduced the electrical conductivity of the substrates, and the thin films prepared from n-type silicon targets using a 50:50 mixing ratio and deposited on both surfaces of a titanium substrate reduced the electrical conductivity of this substrate by 30%. This reduction in the release of ions from the coated metal substrate is attributed to the dielectric properties of the deposited silicon nitride thin films. This result is very important and applicable. This work represents the first attempt in Iraq to study such effects and may represent a good starting point for advanced studies in biomedical engineering.