Molecular dynamics simulation study of nitrogen vacancy color centers prepared by carbon ion implantation into diamond

Nitrogen vacancy(NV)color centers in diamond have useful applications in quantum sensing andfluorescent marking.They can be gen-erated experimentally by ion implantation,femtosecond lasers,and chemical vapor deposition.However,there is a lack of studies of the yield of NV color centers at the atomic scale.In the molecular dynamics simulations described in this paper,NV color centers are pre-pared by ion implantation in diamond with pre-doped nitrogen and subsequent annealing.The differences between the yields of NV color centers produced by implantation of carbon(C)and nitrogen(N)ions,respectively,are investigated.It is found that C-ion implantation gives a greater yield of NV color centers and superior location accuracy.The effects of different pre-doping concentrations(400–1500 ppm)and implantation energies(1.0–3.0 keV)on the NV color center yield are analyzed,and it is shown that a pre-doping concentra-tion of 1000 ppm with 2 keV C-ion implantation can produce a 13%yield of NV color centers after 1600 K annealing for 7.4 ns.Finally,a brief comparison of the NV color center identification methods is presented,and it is found that the error rate of an analysis utiliz-ing the identify diamond structure coordination analysis method is reduced by about 7%compared with conventional identification+methods.

Interfacial stress characterization of GaN epitaxial layer with sapphire substrate by confocal Raman spectroscopy

As an important wide-bandgap semiconductor,gallium nitride(GaN)has attracted considerable attention.This paper describes the use of confocal Raman spectroscopy to characterize undoped GaN,n-type GaN,and p-type GaN through depth profiling using 405-,532-,and 638-nm wavelength lasers.The Raman signal intensity of the sapphire substrate at different focal depths is studied to analyze the depth resolution.Based on the shift of the E2 H mode of the GaN epitaxial layer,the interfacial stress for different types of GaN is characterized and calculated.The results show that the maximum interfacial stress appears approximately at the junction of the GaN and the sapphire substrate.Local interfacial stress analysis between the GaN epitaxial layer and the substrate will be very helpful in furthering the applications of GaN devices.

Annealing treatment of focused gallium ion beam processing of SERS gold substrate

Raman spectroscopy is a type of inelastic scattering spectroscopy that is widely used in determining and analyzing molecular structure.It also has a number of practical applications in evaluating food safety,medicine,and forensics.The Raman spectral signal is weak,but the development of the surface-enhanced Raman scattering(SERS)technique has overcome this problem and led to further developments in Raman spectroscopy.This paper describes a fundamental study of the use of focused ion beam(FIB)direct writing for preparing gold substrates for SERS.Molecular dynamics and Monte Carlo simulation methods are used to investigate the damage induced by gallium ion implantation of a gold substrate.Based on characterization by x-ray photoelectron spectroscopy(XPS)and scanning electron microscopy,the mechanism by which ion implantation and annealing influence the damage induced by a gallium FIB is analyzed.After annealing at 350 XC,a mixture of metallic gallium,its oxide Ga2O3 conforming to the stoichiometric ratio,and its sub-stable oxide(Ga2Ox)in sub-stoichiometric ratio precipitated on the surface are detected by XPS.Annealing treatment can effectively reduce the effect of gallium ion implantation on a SERS substrate fabricated by FIB direct writing.

Surface-enhanced Raman scattering on nanodiamond-derived carbon onions

Annealing nanodiamonds(ND) at high temperatures up to 1700 ℃ is a common method to synthesize carbon onions. The transformation from NDs to carbon onions is particularly interesting because of carbon onions' potential in the field of tribology and their application in ultra-charge/discharge devices. In this paper, a novel surface-enhanced Raman scattering technique that involves coating the sample with nanoscopic gold particles is proposed to characterize the NDs after different annealing treatments. Conventional Raman and surfaceenhanced Raman spectra were obtained, and the changes of peak parameters as the function of annealing temperature were evaluated. It was found that the widths of the D and the G peaks decreased with increasing annealing temperature, reflecting an improved order in the sp^2-hybridized carbon during the transformation from NDs to carbon onions. After annealing at 1700 ℃, the sp^2?carbon was highly ordered, indicating desirable electrical conductivity and lubricity. With increasing annealing temperature, the D peak showed a blue shift of almost30 cm^(-1), while the G peak merely shifted by 5 cm^(-1). For annealing temperatures above 1100 ℃, an increase of intensity ratio ID/IGwas observed. Compared to the uncoated area, red shifts of 0.5-2 cm^(-1) and of 5-9 cm^(-1) for the G and D peaks, respectively, were detected for the gold-coated area, which was due to the coupling of the plasmons and the phonons of the samples.

Foreword to the special issue on wide-bandgap(WBG)semiconductors:from fundamentals to applications

The development of new kinds of semiconductor material is a very attractive topic of scientific research and appliations.Graphene is considered as one of the most impressive 2D materials for many applications,like graphene-reinforced metal matrix nanocomposites.1 Widebandgap(WBG)semiconductors have received widespread attention in recent years because of their superior physical properties such as large band gap,high carrier mobility,and high thermal conductivity.Represented by silicon carbide(SiC)and gallium nitride(GaN),WBG semiconductor materials,therefore,can be operated in extreme working environments or conditions such as high temperature,high frequency,and high power.

Molecular dynamics simulation on the effect of dislocation structures on the retention and distribution of helium ions implanted into silicon

To investigate the effect of dislocation structures on the initial formation stage of helium bubbles, molecular dynamics(MD) simulations were used in this study. The retention rate and distribution of helium ions with 2 ke V energy implanted into silicon with dislocation structures were studied via MD simulation. Results show that the dislocation structures and their positions in the sample affect the helium ion retention rate. The analysis on the three-dimensional distribution of helium ions show that the implanted helium ions tend to accumulate near the dislocation structures. Raman spectroscopy results show that the silicon substrate surface after helium ion implantation displayed tensile stress as indicated by the blue shift of Raman peaks.

Confocal photoluminescence characterization of silicon-vacancy color centers in 4H-SiC fabricated by a femtosecond laser

Silicon-vacancy(VSi)centers in silicon carbide(SiC)are expected to serve as solid qubits,which can be used in quantum computing and sensing.As a new controllable color center fabrication method,femtosecond(fs)laserwriting has been gradually applied in the preparation of VSi in SiC.In this study,4H-SiCwas directlywritten by an fs laser and characterized at 293 K by atomic force microscopy,confocal photoluminescence(PL),and Raman spectroscopy.PL signals of VSi were found and analyzed using 785 nm laser excitation by means of depth profiling and two-dimensional mapping.The influence of machining parameters on the VSi formation was analyzed,and the three-dimensional distribution of VSi defects in the fs laser writing of 4H-SiC was established.

Density functional theory calculation of the properties of carbon vacancy defects in silicon carbide

As a promisingmaterial for quantumtechnology,silicon carbide(SiC)has attracted great interest inmaterials science.Carbon vacancy is a dominant defect in 4H-SiC.Thus,understanding the properties of this defect is critical to its application,and the atomic and electronic structures of the defects needs to be identified.In this study,density functional theorywas used to characterize the carbon vacancy defects in hexagonal(h)and cubic(k)lattice sites.The zero-phonon line energies,hyperfine tensors,and formation energies of carbon vacancies with different charge states(2−,−,0,+and 2+)in different supercells(72,128,400 and 576 atoms)were calculated using standard Perdew-Burke-Ernzerhof and Heyd-Scuseria-Ernzerhof methods.Results show that the zero-phonon line energies of carbon vacancy defects are much lower than those of divacancy defects,indicating that the former is more likely to reach the excited state than the latter.The hyperfine tensors of VC+(h)and VC+(k)were calculated.Comparison of the calculated hyperfine tensor with the experimental results indicates the existence of carbon vacancies in SiC lattice.The calculation of formation energy shows that the most stable carbon vacancy defects in the material are VC 2+(k),VC+(k),VC(k),VC−(k)and VC 2−(k)as the electronic chemical potential increases.

Fabrication of Superhydrophobic–Hydrophilic Patterned Cu@Ag Composite SERS Substrate via Femtosecond Laser

Ultralow concentration molecular detection is critical in various fields,e.g.,food safety,environmental monitoring,and dis-ease diagnosis.Highly sensitive surface-enhanced Raman scattering(SERS)based on ultra-wettable surfaces has attracted attention due to its unique ability to detect trace molecules.However,the complexity and cost associated with the preparation of traditional SERS substrates restrict their practical application.Thus,an efficient SERS substrate preparation with high sensitivity,a simplified process,and controllable cost is required.In this study,a superhydrophobic–hydrophilic patterned Cu@Ag composite SERS substrate was fabricated using femtosecond laser processing technology combined with silver plating and surface modification treatment.By inducing periodic stripe structures through femtosecond laser processing,the developed substrate achieves uniform distribution hotspots.Using the surface wettability difference,the object to be measured can be confined in the hydrophilic region and the edge of the hydrophilic region,where the analyte is enriched by the coffee ring effect,can be quickly located by surface morphology difference of micro-nanostructures;thus,greatly improving detec-tion efficiency.The fabricated SERS substrate can detect Rhodamine 6G(R6G)at an extraordinarily low concentration of 10^(−15)mol/L,corresponding to an enhancement factor of 1.53×10^(8).This substrate has an ultralow detection limit,incurs low processing costs and is simple to prepare;thus,the substrate has significant application potential in the trace analysis field.

Silicon Vacancy Color Centers in 6H-SiC Fabricated by Femtosecond Laser Direct Writing

As a single photon source,silicon vacancy(V_(Si))centers in wide bandgap semiconductor silicon carbide(SiC)are expected to be used in quantum technology as spin qubits to participate in quantum sensing and quantum computing.Simultaneously,the new direct femtosecond(fs)laser writing technology has been successfully applied to preparing V_(Si)s in SiC.In this study,6H-SiC,which has been less studied,was used as the processed material.V_(Si) center arrays were formed on the 6H-SiC surface using a 1030-nm-wavelength fs pulsed laser.The surface was characterized by white light microscopy,atomic force microscopy,and confocal photoluminescence(PL)/Raman spectrometry.The effect of fs laser energy,vector polarization,pulse number,and repetition rate on 6H-SiC V_(Si) defect preparation was analyzed by measuring the V_(Si) PL signal at 785-nm laser excitation.The results show that fs laser energy and pulse number greatly influence the preparation of the color center,which plays a key role in optimizing the yield of V_(Si)s prepared by fs laser nanomachining.

Co_(3)O_(4)纳米阵列电催化膜电极及其处理难降解废水耦合产氢性能研究

传统电化学高级氧化技术存在有机物降解效率不高、能耗大的弊端,并且平板式电极表面存在滞止边界层,严重限制了传质过程.本工作中,我们首先通过水热方法将一维Co_(3)O_(4)纳米针状阵列结构原位负载于金属钛膜电极,低压电场下,实现难降解有机物的去除,其中:对于苯酚的去除率可达≥99%,化学需氧量(COD)和总有机碳(TOC)去除率分别为99.5%和92.5%,电流效率为88.7%,能耗仅为0.061 kW h(kg COD)^(-1).Co_(3)O_(4)纳米针的阵列式膜电极可以提供更多的CoOOH活性位,增强电场强度,而且其穿透式流体模式导致强化对流,可以明显地改善电催化反应过程的传质,因而提高膜电极的催化效率,降低能耗.最后,我们设计了H型电催化膜反应器,耦合阴极的析氢反应,降解有机物的同时制备纯氢,极大地提高了电极和膜反应器的效率.

Germanium nanopyramid arrays showing near-100% absorption in the visible regime

Solar energy is regarded as one of the most plentiful sources of renewable energy. An extraordinary light-harvesting property of a germanium periodic nanopyramid array is reported in this Letter. Both our theoretical and experimental results demonstrate that the nanopyramid array can achieve perfect broadband absorption from 500- to 800-nm wavelength. Especially in the visible regime, the experimentally measured absorption can even reach 100%. Further analyses reveal that the intrinsic antireflection effect and slow-light waveguide mode play an important role in the ultra-high absorption, which is helpful for the research and development of photovoltaic devices.

Anisotropy-Related Machining Characteristics in Ultra-Precision Diamond Cutting of Crystalline Copper

Deformation behavior at grain levels greatly affects the machining characteristics of crystalline materials.In the present work,we investigate the influence of material anisotropy on ultra-precision diamond cutting of single crystalline and polycrystalline copper by experiments and crystal plasticity finite element simulations.Specifically,diamond turning and in situ SEM orthogonal cutting experiments are carried out to provide direct experimental evidence of the material anisotropy-dependent cutting results in terms of machined surface morphology and chip profile.Corresponding numerical simulations with the analysis of built stress further validate experimental results and reveal the mechanisms governing the material anisotropy influence.The above findings provide insight into the fabrication of ultra-smooth surfaces of polycrystalline metals by ultraprecision diamond turning.

Photoluminescence and Raman Spectroscopy Study on Color Centers of Helium Ion-Implanted 4H-SiC

Color centers in silicon carbide(SiC)are promising candidates for quantum technologies.However,the richness of the polytype and defect configuration of SiC makes the accurate control of the types and position of defects in SiC still challenging.In this study,helium ion-implanted 4H-SiC was characterized by atomic force microscopy(AFM),confocal photoluminescence(PL),and confocal Raman spectroscopy at room temperature.PL signals of silicon vacancy were found and analyzed using 638-nm and 785-nm laser excitation by means of depth profiling and SWIFT mapping.Lattice defects(C-C bond)were detected by continuous laser excitation at 532 nm and 638 nm,respectively.PL/Raman depth profiling was helpful in revealing the three-dimensional distribution of produced defects.Differences in the depth profiling results and SRIM simulation results were explained by considering the depth resolution of the confocal measurement setup,helium bubbles,as well as swelling.