Atomic scale KMC simulation of {100} oriented CVD diamond film growth under low substrate temperature—Part Ⅰ Simulation of CVD diamond film growth under Joe-Badgwell-Hauge model

The growth of {100} oriented CVD (Chemical Vapor Deposition)diamond film under Joe-Badgwell-Hauge (J-B-H) model is simulated at atomic scale by using revised KMC (Kinetic Monte Carlo) method. The results show that: (1) under Joe's model, the growth mechanism from single carbon species is suitable for the growth of {100} oriented CVD diamond film in low temperature; (2) the deposition rate and surface roughness () under Joe's model are influenced intensively by temperature ()and not evident bymass fraction of atom chlorine; (3)the surface roughness increases with the deposition rate, i.e. the film quality becomes worse with elevated temperature, in agreement with Grujicic's prediction; (4) the simulation results cannot make sure the role of single carbon insertion.     

CVD金刚石膜{100}取向生长的原子尺度仿真

运用动力学蒙特卡洛(KMC)方法从原子尺度对CVD金刚石膜{100}取向在3种不同化学反应模型下的生长进行了仿真.结果表明:(1)以CH3为主要生长组元的生长机制比较适合于{100}取向金刚石膜的生长;(2) 对金刚石{100}取向而言,含有双碳基团的模型沉积速度并不比含有单碳基团的模型沉积速度大;(3)在高的生长速率下仍有可能获得表面粗糙度较小的金刚石膜;(4)对Harris模型的仿真结果与其本人的预测结果一致,并与实验结果符合良好.     

Synthesis of high quality type-Ib diamond crystals in carats grade

High quality type-Ib tower-shape gem-diamond crystals in carats grade were synthesized in cubic anvil high pressure apparatus (SPD-6×1200) at 5.4 GPa and 1250-1450°C. The relationship between the growth time and the weight of growth diamond has been gained. The faces of {110} and {113} were found in the synthetic diamond crystals frequently. We found that the relative growth rate of {113} face was descending with the increase of growth temperature, and that of {110} face had no obvious change with the incre...     

Orientation variation along growth direction of millimeter free-standing CVD diamond thinned by mechanical grinding

A free-standing diamond film with millimeter thickness prepared by DC arc plasma jet was thinned successively by mechanical grinding. The orientation and quality of the diamond films with different thicknesses were characterized by X-ray diffraction and Raman spectroscopy, respectively. The results show a random grain-orientation distribution during the initial growth stage. As the film thickness increases, the preferred orientation of the diamond film changes from (111) to (220), due to the competitive growth mechanism. Twinning generated during the nucleation stage appears to stabilize the preferential growth along the 〈110〉 direction. The interplanar spacing of the (220) plane is enlarged as the film thickness increases, which is caused by the increase of non-diamond-phase carbon and impurities under the cyclic gas. In addition, the quality of the diamond film is barely degraded during the growth process. Furthermore, the peak shift demonstrates a significant inhomogeneity of stress along the film growth direction, which results from competitive growth.     

Microstructures of metallic film and diamond growth from Fe-Ni-C system

The microstructures of metallic film surrounding diamond have been systemically studied using the transmission electron microscopy (TEM) and the atom force microscopy (AFM). The film can be divided into three layers (inner layer near diamond, external layer near graphite and middle layer). The graphite cannot be directly transformed into diamond in the film at HTHP; there exists a parallel relationship between (−111) of γ-(Fe,Ni) and (110) of Fe₃C in the inner layer; the sawtooth-like step morphology found by AFM on the film is similar to that of corresponding diamond surface. A new model for diamond growth at HPHT is proposed from the parallel relationship and sawtooth-like step morphology. It is believed that Fe₃C may be a transitional phase in the course of diamond growth, γ-(Fe,Ni) in the inner layer can absorb carbon atom groups with lamella structure from Fe₃C, and then the carbon groups stack on growing diamond.     

CVD金刚石涂层刀具在石墨加工中的应用

CVD金刚石涂层是一种新型材料,相比于硬质合金具有更高的切削性能,适用于有色金属和非金属材料的切削加工.本文利用CVD金刚石涂层刀具和硬质合金刀具对石墨进行切削试验,将两种刀具寿命作比较,结果表明：CVD涂层刀具有高硬度、低摩擦系数、高耐磨和高导热的优异性能,与未涂层刀具相比,大幅提高了刀具的耐用度.     

Growth and characterization of large, high quality cubic diamond crystals

High quality cubic diamond crystals were grown using the temperature gradient method at high pressure and high temperature(HPHT),in a new FeNi alloy as solvent.The crystals were grown at relatively low temperatures suitable for the growth of {100} faces.An increase in the radial growth rate,and inhibition of the axial growth caused the growth of large,high quality cubic diamond single crystals at high growth rates.For example,over 33 h,the radial growth rate was 0.22 mm/h,while the axial growth rate was only 0.08 mm/h;the growth rate by weight was also increased to 7.3 mg/h.The yellow color of our crystal samples was more uniform than samples from Sumitomo Corporation of Japan and Element Six Corp.The Raman FWHW of the 1332 cm 1 peak in our diamond sample was smaller than the Element Six Corp.sample,but larger than that of the Sumitomo Corp.sample.The nitrogen content of our diamond samples was 240 ppm,which was much higher than the Sumitomo and Element Six samples because of the higher growth rate of our diamond samples.     

CVD金刚石薄膜的掺硼研究

主要介绍硼掺杂金刚石膜的生长．采用热灯丝CVD法在硅上制备金刚石薄膜，采用三氧化二硼制备硼掺杂金刚石膜．利用拉曼光谱分析硼掺杂金刚石膜的生长情况．结果表明：硼的掺杂质量分数随生长时间延长而增大；利用SEM观察硼掺杂金刚石膜的表面晶粒变小；利用银浆在掺杂金刚石膜表面制备电极，测试电流随温度升高而变大.     

CVD金刚石薄膜的织构与显微组织研究

对直流电弧等离子喷射化学气相沉积法(CVD)制备的自支撑金刚石薄膜,用X射线衍射测量了薄膜织构,并用扫描电镜观察了薄膜显微组织。发现金刚石薄膜的织构为{110}、{111}、{112}和{221}等纤维织构。实验结果表明,金刚石薄膜比较致密并且晶形比较完整,不同生长因子对应不同立方体-八面体几何形状。分析和讨论了金刚石薄膜的制备工艺参数如衬底温度和甲烷浓度对其织构和显微组织产生的影响。     

Optical characterization of single-crystal diamond grown by DC arc plasma jet CVD

Optical centers of single-crystal diamond grown by DC arc plasma jet chemical vapor deposition (CVD) were examined using a low-temperature photoluminescence (PL) technique. The results show that most of the nitrogen-vacancy (NV) complexes are present as NV-centers, although some H2 and H3 centers and B-aggregates are also present in the single-crystal diamond because of nitrogen aggregation resulting from high N₂ incorporation and the high mobility of vacancies under growth temperatures of 950-1000℃. Furthermore, emissions of radiation-induced defects were also detected at 389, 467.5, 550, and 588.6 nm in the PL spectra. The reason for the formation of these radiation-induced defects is not clear. Although a Ni-based alloy was used during the diamond growth, Ni-related emissions were not detected in the PL spectra. In addition, the silicon-vacancy (Si-V)-related emission line at 737 nm, which has been observed in the spectra of many previously reported microwave plasma chemical vapor deposition (MPCVD) synthetic diamonds, was absent in the PL spectra of the single-crystal diamond prepared in this work. The high density of NV- centers, along with the absence of Ni-related defects and Si-V centers, makes the single-crystal diamond grown by DC arc plasma jet CVD a promising material for applications in quantum computing.     

甲烷浓度对大面积金刚石膜生长的影响

采用电子辅助热灯丝化学气相沉积(EA.CVD)方法沉积大面积金刚石膜,在金刚石膜的沉积过程中,碳源浓度的变化会直接影响着金刚石膜的生长和质量。使用Raman,SEM等手段对金刚石膜的生长特性进行了表征。     

Ohmic contact properties of p-type surface conductive layer on H-terminated diamond films prepared by DC arc jet CVD

With the advantages of high deposition rate and large deposition area, polycrystalline diamond films prepared by direct current (DC) arc jet chemical vapor deposition (CVD) are considered to be one of the most promising materials for high-frequency and high-power electronic devices. In this paper, high-quality self-standing polycrystalline diamond films with the diameter of 100 mm were prepared by DC arc jet CVD, and then, the p-type surface conductive layer with the sheet carrier density of 1011-1013 cm?2 on the H-terminated diamond film was obtained by micro-wave hydrogen plasma treatment for 40 min. Ti/Au and Au films were deposited on the H-terminated diamond surface as the ohmic contact electrode, respectively, afterwards, they were treated by rapid vacuum annealing at different temperatures. The properties of these two types of ohmic contacts were investigated by measuring the specific contact resistance using the transmission line method (TLM). Due to the formation of Ti-related carbide at high temperature, the specific contact resistance of Ti/Au contact gradually decreases to 9.95 × 10?5 Ω·cm2 as the temperature increases to 820℃. However, when the annealing temperature reaches 850℃, the ohmic contact for Ti/Au is degraded significantly due to the strong diffusion and reaction between Ti and Au. As for the as-deposited Au contact, it shows an ohmic contact. After annealing treatment at 550℃, low specific contact resistance was detected for Au contact, which is derived from the enhancement of interdiffusion between Au and diamond films.     

氮气流量对金刚石膜生长的影响

采用电子辅助热灯丝化学气相沉积（EA-CVD）方法沉积大面积金刚石膜,在金刚石膜的沉积过程中,氮气流量对金刚石膜沉积的影响会直接影响着金刚石膜的生长和质量。用Raman等手段对金刚石膜的生长特性进行了表征。     

影响CVD金刚石断裂强度的因素

按照Griffith微裂纹理论,讨论了影响CVD金刚石断裂强度的因素。结果表明,较高的生长温度,较低的生长速率,较小的晶粒尺寸,较少的微观缺陷,较高的金刚石纯度,可以提高CVD金刚石的断裂强度。     

化学气相沉积金刚石膜的硬度

使用力驱动静态超微压痕测量仪器（Ｆｏｒｃｅ Ｄｒｉｖｅｎ Ｓｔａｔｉｃ Ｍｅａｓｕｒｉｎｇ Ｕｌｔｒａ Ｍｉｃｒｏ－ Ｉｎｄｅｎ－ｔａｔｉｏｎ Ｓｙｓｔｅｍ ）－ ＵＭＩＳ－ ２０００ 对由直流等离子体喷射法沉积的金刚石膜进行测量。结果显示金刚石膜的硬度不仅与晶体生长方向和晶粒大小有关,还与厚度有关。生长面和与基底接触面的金刚石膜硬度也有区别。后者被认为由于随机取向的微小晶粒占优势,其硬度比生长面略高。在所进行的测量中,硬度值在９０ＧＰａ左右。     

CVD金刚石膜沉积设备的稳流控制电路

研制了DCPLASMAJETCVD金刚石膜沉积设备电源的稳流控制电路。该电路利用负反馈原理,通过SG3524调节输出脉冲的占空比,推动IGBT,为磁饱和电抗器提供控制电流,达到电源稳定输出电流的目的。     

微波等离子体CVD方法制备金刚石薄膜

采用微波等离子体化学气相沉积方法分别在CH4／H2，CO／H2和（CH4＋CO）／H2气体体系下合成了金刚石薄膜．结果表明，所合成的金刚石薄膜具有明显的柱状生长特性和较高的品质，（CH4＋CO）／H2体系合成的金刚石薄膜具有较高的生长速率和（100）晶面定向生长的特性．     

Observation of Pt-{100}-p(2×2)-O reconstruction by an environmental TEM

The surface structure of noble metal nanoparticles usually plays a crucial role during the catalytic process in the fields of energy and environment. It has been studied extensively by surface analytic methods, such as scanning tunneling microscopy. However, it is still challenging to secure a direct observation of the structural evolution of surfaces of nanocatalysts in reaction(gas and heating) conditions at the atomic scale. Here we report an in-situ observation of atomic reconstruction on Pt {100} surfaces exposed to oxygen in an environmental transmission electron microscope(TEM). Our high-resolution TEM images revealed that Pt-{100}-p(2×2)-O reconstruction occurs during the reaction between oxygen atoms and{100} facets. A reconstruction model was proposed, and TEM images simulated according to this model with different defocus values match the experimental results well.     

灯丝平面与衬底间距对金刚石膜沉积的影响

采用电子辅助热灯丝化学气相沉积(EA-CVD)方法沉积大面积金刚石膜,在金刚石膜的沉积过程中,灯丝平面与衬底间距对金刚石膜沉积的影响会直接影响着金刚石膜的生长和质量。用Raman手段对金刚石膜的生长特性进行了表征。     

一种快速测定CVD金刚石膜磨耗比的方法

报道了CVD金刚石膜磨耗比的一种简易快速测量方法.该方法通过测量金刚石膜被磨耗的体积来求得磨耗比.其优点是不使用微量分析天平,因而降低了对实验环境条件的要求,省去了烘干和称重两项工序,测试快速简便.通过与质量法对比,所得数据比较准确可信.