氢、氧终端掺硼金刚石薄膜的电子结构

利用氢微波等离子体溅射和浓酸中沸煮方法分别制备了氢、氧终端掺硼金刚石薄膜.借助X射线光电子能谱及接触角检测对两种终端薄膜表面进行了分析，通过扫描探针显微镜研究了针尖和样品间的扫描隧道谱.结果表明，氢终端掺硼金刚石表面能带向上弯曲，在高于价带顶位置存在浅受主能级；氧终端表面能带向下弯曲，带隙较宽，带隙中不存在表面态.对两种终端金刚石薄膜的导电机理进行了讨论.     

单晶金刚石氢终端场效应晶体管特性

基于微波等离子体化学气相淀积生长的单晶金刚石制作了栅长为2μm的耗尽型氢终端金刚石场效应晶体管,并对器件特性进行了分析.器件的饱和漏电流在栅压为-6 V时达到了96 mA/mm,但是在-6 V时栅泄漏电流过大.在-3.5 V的安全工作栅压下,饱和漏电流达到了77 mA/mm.在器件的饱和区,宽5.9 V的栅电压范围内,跨导随着栅电压的增加而近线性增大到30 mS/mm.通过对器件导通电阻和电容-电压特性的分析,氢终端单晶金刚石的二维空穴气浓度达到了1.99×10~(13)cm~(-2),并且迁移率和载流子浓度均随着栅压向正偏方向的移动而逐渐增大.分析认为,沟道中高密度的载流子、大的栅电容以及迁移率的逐渐增加是引起跨导在很大的栅压范围内近线性增加的原因.     

EACVD金刚石薄膜中氢分解过程的研究

采用蒙特卡罗方法模拟了电子辅助化学气相淀积（EACVD）金刚石薄膜中的氢分解过程,建立了电子碰撞使氢分解的模型,给出了电子能量分布及氢原子数的空间分布,讨论了电偏压和气压对氢分解的影响。这些结果对EACVD制造金刚石薄膜的研究有重要意义。     

掺硼金刚石的超导电性

金刚石以它的光泽和超强的硬度屹立于材料世界之林.它本身是绝缘体,但它的导热能力优于铜,并且能承受极高的强电场.为使金刚石能够在电子学领域获得应用(例如,作为微电子芯片衬度、电子发射电极、光探测器和晶体管等) ,需要引入电荷载流子.硼原子的半径较小,它比碳原子少一个电     

金刚石表面无定形碳氢薄膜生长的分子动力学模拟

利用分子动力学模拟方法研究了CH₂基团轰击金刚石(111)面所形成的无定形碳氢薄膜(a-C:H)的生长过程. 结构分析表明, 得到的无定形碳氢薄膜中碳原子的局域结构(如C–C第一近邻数)与其中氢原子的含量密切相关. CH₂ 基团入射能量的增加会导致得到的薄膜的氢含量降低, 从而改变薄膜中类sp³成键碳原子的比例.     

高跨导氢终端多晶金刚石长沟道场效应晶体管特性研究

基于多晶金刚石制作了栅长为4 pm的铝栅氢终端金刚石场效应晶体管.器件的饱和漏源电流为160 mA/mm,导通电阻低达37.85Ω·mm,最大跨导达到32 mS/mm,且跨导高于最大值的90%的栅压(V_(GS))范围达到3 V(-2 V≤V_(GS)≤-5 V).通过传输线电阻分析以及器件的导通电阻和电容-电压特性分析,发现氢终端多晶金刚石栅下沟道中的空穴面浓度达到了1.56×10~(13)cm~(-2),有效迁移率在前述高跨导栅压范围保持在约170 cm~2/(V·s).分析认为,较低的栅源和栅漏串联电阻、沟道中高密度的载流子和在大范围栅压内的高水平迁移率是引起高而宽阔的跨导峰和低导通电阻的原因.     

非晶金刚石薄膜的场致电子发射性能研究

利用真空磁过滤弧沉积技术制备出一种高sp³含量的非晶碳膜———非晶金刚石薄膜，并对这种非晶金刚石薄膜的场电子发射特性及其发射机理进行了研究．实验结果表明，在阈值电场低于20V/μm情况下，得到的场发射电流达20—40μA，薄膜的电子发射行为符合Fowler-Nordheim场发射理论．研究表明，这种非晶金刚石薄膜具有负的电子亲合势和较小的有效功函数以及相对较低的禁带宽度 关键词：     

金刚石薄膜生长条件气相反应的动力学分析

建立一个金刚石薄膜生长条件下气相反应的化学模型，并对之进行了基于第一原理的动力学反应速度常数计算，结果表明，该模型所预言的气相深度分布与实验定性一致，温度下限与实验的衬底表面温度定量一致。     

电子助进热丝化学汽相沉积金刚石薄膜

以CH₄和H₂为源反应气体，利用电子助进热丝化学汽相沉积（CVD）技术，在Si（100）晶面衬底上成功地得到了织构生长的金刚石薄膜．用扫描电子显微镜、Raman光谱、X射线衍射等多种技术对薄膜的形貌、成分、晶态等特性进行了分析，得到了在热丝CVD实验条件下织构生长金刚石薄膜的最佳工艺条件． 关键词：     

Ohmic and Schottky contacts of hydrogenated and oxygenated boron-doped single-crystal diamond with hill-like polycrystalline grains

Hill-like polycrystalline diamond grains(HPDGs) randomly emerged on a heavy boron-doped p~+ single-crystal diamond(SCD) film by prolonging the growth duration of the chemical vapor deposition process.The Raman spectral results confirm that a relatively higher boron concentration(～1.1 × 10~(21) cm~(-3)) is detected on the HPDG with respect to the SCD region(～5.4 × 10~(20) cm~(-3)).It demonstrates that the Au/SCD interface can be modulated from ohmic to Schottky contact by varying the surface from hydrogen to oxygen termination.The current-voltage curve between two HPDGs is nearly linear with either oxygen or hydrogen termination,which means that the HPDGs provide a leakage path to form an ohmic contact.There are obvious rectification characteristics between oxygen-terminated HPDGs and SCD based on the difference in boron doping levels in those regions.The results reveal that the highly boron-doped HPDGs grown in SCD can be adopted as ohmic electrodes for Hall measurement and electronic devices.     

Data-driven exploration for pressure-induced superconductors using diamond anvil cell with boron-doped diamond electrodes and undoped diamond insulating layer

ABSTRACT

Data-driven exploration for pressure-induced superconductors was performed based on the high-throughput first-principles screening of electronic band structures. In the screening conditions, we focused on the characteristics including a narrow band gap, flat band feature, and possibility of metallization under high pressure. The 27 promising compounds were screened out from the database of Atomwork for the candidates of new pressure-induced superconductors. Among the candidates, we actually synthesized three compounds in a single crystal, and all candidates exhibited the pressure-induced superconductivity. For the in-situ electrical transport measurements, we developed a novel configuration of diamond anvil cell with boron-doped diamond electrodes and an undoped diamond insulating layer. The discovered new pressure-induced superconductors via the data-driven approach and the developed diamond anvil cell were summarized in this paper.     

Synthesis and characterization of p-type boron-doped IIb diamond large single crystals

High-quality p-type boron-doped IIb diamond large single crystals are successfully synthesized by the temperature gradient method in a china-type cubic anvil high-pressure apparatus at about 5.5 GPa and 1600 K.The morphologies and surface textures of the synthetic diamond crystals with different boron additive quantities are characterized by using an optical microscope and a scanning electron microscope respectively.The impurities of nitrogen and boron in diamonds are detected by micro Fourier transform infrared technique.The electrical properties including resistivities,Hall coefficients,Hall mobilities and carrier densities of the synthesized samples are measured by a four-point probe and the Hall effect method.The results show that large p-type boron-doped diamond single crystals with few nitrogen impurities have been synthesized.With the increase of quantity of additive boron,some high-index crystal faces such as {113} gradually disappear,and some stripes and triangle pits occur on the crystal surface.This work is helpful for the further research and application of boron-doped semiconductor diamond.     

Geometries and electronic structures of the hydrogenated diamond (100) surface upon exposure to active ions: A first principles study

To elucidate the effects of physisorbed active ions on the geometries and electronic structures of hydrogenated diamond films, models of HCO⁻₃ , H₃O⁺, and OH⁻ ions physisorbed on hydrogenated diamond (100) surfaces were constructed. Density functional theory was used to calculate the geometries, adsorption energies, and partial density of states. The results showed that the geometries of the hydrogenated diamond (100) surfaces all changed to different degrees after ion adsorption. Among them, the H₃O⁺ ion affected the geometry of the hydrogenated diamond (100) surfaces the most. This is well consistent with the results of the calculated adsorption energies, which indicated that a strong electrostatic attraction occurs between the hydrogenated diamond (100) surface and H₃O⁺ ions. In addition, electrons transfer significantly from the hydrogenated diamond (100) surface to the adsorbed H₃O⁺ ion, which induces a downward shift in the HOMO and LUMO energy levels of the H₃O⁺ ion. However, for active ions like OH⁻ and HCO⁻₃ , no dramatic change appears for the electronic structures of the adsorbed ions.     

退火对B掺杂纳米金刚石薄膜微结构和电化学性能的影响

采用热丝化学气相沉积法制备B掺杂纳米金刚石薄膜,并对薄膜进行真空退火处理,系统研究了不同退火温度对B掺杂纳米金刚石薄膜的微结构和电化学性能的影响.结果表明,当退火温度升高到800 ℃后,薄膜的Raman谱图中由未退火时在1157,1346,1470,1555 cm^-1处的4个峰转变为只有D峰和G峰,说明晶界上的氢大量解吸附量减少,并且D峰和G峰的积分强度比I_D/I_G值变为最小,即sp²相团簇     

金刚石薄膜电致发光现象的研究进展

阐明了金刚石薄膜电致发光研究的重要意义．综述了金刚石薄膜电致发光现象研究的进展情况，指出目前该方面研究中存在的问题，并提出了进一步提高金刚石薄膜蓝区电致发光强度的可能途径．     

退火温度对硼掺杂纳米金刚石薄膜微结构和p型导电性能的影响

采用热丝化学气相沉积法制备硼掺杂纳米金刚石 (BDND) 薄膜, 并对薄膜进行真空退火处理, 系统研究退火温度对BDND薄膜微结构和电学性能的影响. Hall效应测试结果表明掺B浓度为5000 ppm (NHB) 的样品的电阻率较掺B浓度为500 ppm (NLB) 的样品的低, 载流子浓度高, Hall迁移率下降. 1000 ℃退火后, NLB和NHB 样品的迁移率分别为53.3和39.3 cm²·V^-1·s^-1, 薄膜的迁移率较未退火样品提高, 电阻率降低. 高分辨透射电镜、紫外和可见光拉曼光谱测试结果表明, NLB样品的金刚石相含量较NHB样品高, 高的硼掺杂浓度使薄膜中的金刚石晶粒产生较大的晶格畸变. 经1000 ℃退火后, NLB和NHB薄膜中纳米金刚石相含量较未退火时增大, 说明薄膜中部分非晶碳转变为金刚石相, 为晶界上B扩散到纳米金刚石晶粒中提供了机会, 使得纳米金刚石晶粒中B浓度提高, 增强纳米金刚石晶粒的导电能力, 提高薄膜电学性能. 1000 ℃退火能够恢复纳米金刚石晶粒的晶格完整性, 减小由掺杂引起的内应力, 从而提高薄膜的电学性能. 可见光Raman光谱测试结果表明, 1000℃退火后, Raman谱图中反式聚乙炔 (TPA) 的1140 cm^-1峰消失, 此时薄膜电学性能较好, 说明TPA减少有利于提高薄膜的电学性能. 退火后金刚石相含量的增大、金刚石晶粒的完整性提高及TPA含量的大量减少有利于提高薄膜的电学性能. 关键词： 硼掺杂纳米金刚石薄膜 退火 微结构 电学性能     

退火时间对硼掺杂纳米金刚石薄膜微结构和电化学性能的影响

采用高分辨透射电镜、紫外和可见光Raman光谱及循环伏安法研究了1000 ℃下退火不同时间的硼掺杂纳米金刚石薄膜的微结构和电化学性能. 结果表明,随退火时间的延长,薄膜中纳米金刚石晶粒尺寸逐渐减小.当退火时间为0.5 h时, 金刚石晶粒尺寸由未退火样品的约15 nm减小为约8 nm, 金刚石相含量增加;当退火时间为2.0 h时,金刚石晶粒减小为2—3 nm, 此时晶界增多,金刚石相含量减少;退火时间为2.5 h时纳米金刚石晶粒尺寸和金刚石相含量又略有上升.晶粒尺寸和金刚石相含量的变化表明薄膜在退火过程中发生了金刚石和非晶碳相的相互转变.可见光Raman光谱测试结果表明,不同退火时间下, G峰位置变化趋势与I_D/I_G值变化一致,说明薄膜内sp²碳团簇较大时, 非晶石墨相的有序化程度较高.退火0.5, 1.0, 1.5和2.0 h时, 电极表面进行准可逆电化学反应,而未退火和退火时间为2.5 h时电极表面进行不可逆电化学反应.退火有利于提高薄膜电极的传质效率, 退火0.5 h时薄膜电极的传质效率最高,催化氧化性能最好.较小的晶粒尺寸、 较高的金刚石相含量以及纳米金刚石晶粒的均匀分布有利于提高电极表面反应的可逆性和催化氧化性能.