N-S共掺杂金红石相TiO2电子结构与光学性质的第一性原理研究

采用基于第一性原理的平面波超软赝势方法研究N和S单掺杂以及N和S共掺杂金红石相TiO2的能带结构,态密度和光学性质.结果表明:N掺杂导致禁带宽度减小为1.43 eV,并且在价带上方形成了一条杂质能带;S掺杂导致费米能级上移靠近导带,直接带隙减小为0.32 eV;N和S共掺杂导致能带结构中出现了两条杂质能带,靠近导带的一条杂质能级距离导带底约0.35 eV,靠近价带的一条杂质能级距离价带顶约0.85 eV,杂质能级主要由N原子的2p轨道和S原子的3p轨道组成.N和S掺杂后不但使TiO2的吸收带产生红移,而且在可见光区具有较大的吸收系数,光催化活性增强.     

工作波段覆盖近紫外到近红外波的消偏振分色片的设计与研制

介绍了宽波段成像光谱仪系统中一种工作波段为0.35~1.7μm的消偏振分色片的设计与研制。根据成像光谱仪的工作特点,利用分色片将近紫外、可见波段和近红外波段光谱进行高效分离,分别进入各自焦面,并被不同探测器接收。选择两种光学薄膜材料,利用四个反射堆实现了近紫外到可见光波段的高效反射;通过调整反射堆的次序,解决了近紫外波段材料吸收造成的偏振灵敏度高的难题;通过非规整膜层的匹配平滑了透射波段的光谱。分色片反射波段和透射波段的光学效率分别达到了97%和91%以上,反射波段的偏振灵敏度控制在1.5%以内。     

还原石墨烯光学波段复折射率及消光性能研究

在对氧化和还原石墨烯近紫外到近红外波段反射率谱测量的基础上,利用Kramers-Kronig关系计算其复折射率,并反推反射率与光谱分析确定误差水平;运用T矩阵法计算其在该波段的吸收和消光效率因子,分析其消光和吸收性能.结果表明,反推反射率值与实测值误差在10~(-6)量级,且其吸收谱线特征与复折射率虚部吻合;还原石墨烯的可见光-近红外消光和吸收较强,但紫外消光和吸收较弱;氧化石墨烯在紫外-可见光波段的消光和吸收较强,但在近红外波段迅速减弱.因此,该计算方法在两种材料上适用,且氧化和还原石墨烯均可用作宽波段的光吸收或消光材料,但还原石墨烯近紫外波段以及氧化石墨烯近红外波段的性能有待改善.     

横向收集结构锗硅半导体雪崩探测器的设计研究

为了实现高效的微光探测以及满足量子通信的需求,需要研发制备具有高增益、低噪声和高带宽的高性能红外探测器,基于硅衬底材料的锗硅雪崩探测器(Avalanche Photodiode,APD)被认为是有希望实现近红外通信波段高效弱光探测的探测器件。本工作设计研究了一种横向收集结构的锗硅APD,并对其结构参数对电场分布的影响进行了仿真模拟。发现该结构中硅倍增层的掺杂浓度、尺寸等对器件电场分布具有很重要的影响,并且利用能带理论对其进行了解释说明。倍增层掺杂浓度提高后,增强的结效应导致该器件中出现了有趣的双结结构,横向的n~+-n~-结与纵向的p~+-i-p~--n~-结共同作用于电场分布,并且实现了纵向雪崩与横向载流子收集。在-30 d Bm 1 310 nm光源正入射下,新设计的横向吸收结构APD经过优化带宽可以达到20 GHz;线性响应度0. 7 A/W;由于采用了键合方法,其暗电流可以下降至10~(-12)A。基本满足近红外通信波段弱光探测的高速、低暗电流、探测能力强等要求。     

共轭低聚物中光生分子间电荷转移态的第一性原理研究（英文）

本文基于第一性原理中的Heyd-Scuseria-Ernzerh方法研究了单层In_(1-x)Ga_xN的电子结构和光学性质.计算得到单层In_(1-x)Ga_xN的能带结构和态密度(DOS),发现随着掺杂比例的变化,体系带隙的变化范围是1.8～3.8 eV,表明通过Ga的掺杂可以实现体系带隙值的调节.并且还研究了单层In_(1-x)Ga_xN的介电函数,折射率和吸收系数等光学性质,结果表明随着Ga掺杂浓度的增加,介电函数谱的主峰和吸收谱发生了显著的蓝移.此外,基于能带结构和态密度图谱,对单层In_(1-x)Ga_xN的光学性质进行分析,预测这种材料独特的光学性质在纳米电子学和光学器件中会有广泛的应用.     

磁控溅射结合脉冲激光制备钛掺杂硅薄膜的研究（英文）

发展了一种改进的新型超掺杂工艺,通过真空磁控溅射多层镀膜后结合532nm波长可见纳秒脉冲激光熔融处理,进行超掺杂钛的硅薄膜材料的制备,并对材料的超掺杂层的性质和红外吸收性能进行了探究.结果表明,硅膜层中掺杂的钛原子的百分比浓度超过1%左右,对应钛原子浓度约为5×10~(20) cm~(-3)左右,超过钛在硅中形成超掺杂所对应的原子浓度.钛超掺杂层的厚度超过200nm左右,相对传统工艺具有明显提升,并且钛原子的浓度变化范围不超过20%,分布比较均匀.小角度X射线衍射测试表明经过可见脉冲激光熔融处理后的硅薄膜层材料结晶度为25%左右,呈多晶结构.同时红外吸收谱测试表明,样品的钛掺杂硅膜层在大于1 100nm波长的区域具有很高的红外吸收效果,最高的红外吸收系数达到1.2×10~4 cm~(-1),远超过单晶硅材料.具有比较明显的亚能带吸收的特征,呈现出Ec-0.26eV的掺杂能级.霍尔效应测试表明硅膜层具有较高的载流子浓度,超过了8×10~(18)cm~(-3).     

等离子体浸没离子注入制备黑硅抗反射层及其光学特性研究

表面织构是一种有效降低表面反射率、提高硅基太阳能电池效率的方法. 采用等离子体浸没离子注入的方法制备了黑硅抗反射层.分别通过原子力显微镜和紫外-可见-近红外分光光度计对黑硅样品表面形貌和反射率进行分析, 结果发现黑硅样品表面布满了高度为0—550 nm的山峰状结构, 结构层中硅体积分数和折射率随抗反射层厚度增加而连续降低. 在300—1000 nm波段范围内,黑硅样品的加权平均反射率低至6.0%. 通过传递矩阵方法对黑硅样品反射谱进行模拟,得到的反射谱与实测反射谱非常符合.     

溯源至低温辐射计的硅陷阱探测器紫外波段绝对光谱响应度测量（英文）

介绍了溯源至低温辐射计的紫外绝对光谱响应度测量装置,对硅陷阱探测器在三个激光波长点进行了绝对光谱响应度校准实验.测量了硅陷阱探测器的空间均匀性和非线性系数,分析了影响测量准确度的各不确定度分量.实验表明:硅陷阱探测器在紫外波段266、325、379nm三个激光波长点处的绝对光谱响应度测量扩展不确定度分别为0.19%、0.14%、0.11%,可作为紫外波段光辐射功率基准保持和传递的标准探测器,用于提高紫外波段光谱辐射度的校准能力.     

In掺杂ZnO超晶格光学性质的研究

采用基于第一性原理的线性缀加平面波方法, 计算了超晶格ZnO掺In的光学性质. 计算结果表明, 掺入In元素后Fermi能级进入导带, 介电函数、吸收系数、折射率、反射率都在Fermi面附近产生新的跃迁峰. 随着掺杂层数的增多, 跃迁峰发生红移, 当掺杂两层In时跃迁峰峰值最大, 同时吸收系数的吸收边随掺杂层数的增多而逐渐减小. 与In掺杂ZnO超晶胞相比, ZnO超晶格在可见光范围内具有高透过率的特点.     

基于三波段光学成像系统的地物辐亮度系数测量

为了对地面目标的辐亮度系数进行测量,研制了一套包含紫外、可见光和近红外三个波段的光学成像系统,用积分球对其辐亮度响应进行标定,得到辐亮度与图像灰度值和探测器积分时间的拟合方程。提出了一种地面目标辐亮度系数测量方法,采用两块不同辐亮度系数的漫反射板作为参照物,建立辐亮度方程组,最终求解得到的目标辐亮度系数表达式中将不含气象参数项。利用研制的三波段光学成像系统,对绿草地的辐亮度系数进行测量,使用辐亮度系数分别为0.99、0.50、0.20、0.10的四块漫反射板,测得草地的紫外、可见光和近红外波段的辐亮度系数分别为0.070、0.184和0.429。     

The effects of a thin film dopant precursor on the structure and properties of femtosecond-laser irradiated silicon

Femtosecond (fs) laser irradiation of a silicon substrate coated with a thin film is a flexible approach to producing metastable alloys with unique properties, including near-unity sub-band gap absorptance extending into the infrared. However, dopant incorporation from a thin film during fs-laser irradiation is not well understood. We study the thin film femtosecond-laser doping process through optical and structural characterization of silicon fs-laser doped using a selenium thin film, and compare the resulting microstructure and dopant distribution to fs-laser doping with sulfur from a gaseous precursor. We show that a thin film dopant precursor significantly changes the laser-material interactions, modifying both the surface structuring and dopant incorporation processes and in turn affecting p–n diode behavior.     

The role of diffusion in broadband infrared absorption in chalcogen-doped silicon

Sulfur doping of silicon beyond the solubility limit by femtosecond laser irradiation leads to near-unity broadband absorption of visible and infrared light and the realization of silicon-based infrared photodetectors. The nature of the infrared absorption is not yet well understood. Here we present a study on the reduction of infrared absorptance after various anneals of different temperatures and durations for three chalcogens (sulfur, selenium, and tellurium) dissolved into silicon by femtosecond laser irradiation. For sulfur doping, we irradiate silicon in SF₆ gas; for selenium and tellurium, we evaporate a film onto the silicon and irradiate in N₂ gas; lastly, as a control, we irradiated untreated silicon in N₂ gas. Our analysis shows that the deactivation of infrared absorption after thermal annealing is likely caused by dopant diffusion. We observe that a characteristic diffusion length—common to all three dopants—leads to the reduction of infrared absorption. Using diffusion theory, we suggest a model in which grain size of the resolidified surface layer can account for this characteristic diffusion length, indicating that deactivation of infrared absorptance may be caused by precipitation of the dopant at the grain boundaries.     

First-principles study of plasmons in doped graphene nanostructures

The operating frequencies of surface plasmons in pristine graphene lie in the terahertz and infrared spectral range,which limits their utilization. Here, the high-frequency plasmons in doped graphene nanostructures are studied by the timedependent density functional theory. The doping atoms include boron, nitrogen, aluminum, silicon, phosphorus, and sulfur atoms. The influences of the position and concentration of nitrogen dopants on the collective stimulation are investigated,and the effects of different types of doping atoms on the plasmonic stimulation are discussed. For different positions of nitrogen dopants, it is found that a higher degree of symmetry destruction is correlated with weaker optical absorption. In contrast, a higher concentration of nitrogen dopants is not correlated with a stronger absorption. Regarding different doping atoms, atoms similar to carbon atom in size, such as boron atom and nitrogen atom, result in less spectral attenuation. In systems with other doping atoms, the absorption is significantly weakened compared with the absorption of the pristine graphene nanostructure. Plasmon energy resonance dots of doped graphene lie in the visible and ultraviolet spectral range.The doped graphene nanostructure presents a promising material for nanoscaled plasmonic devices with effective absorption in the visible and ultraviolet range.     

Effect of thermal annealing on sub-band-gap absorptance of microstructured silicon in air

The optical absorption properties of femtosecond-laser-made “black silicon” as a function of the annealing conditions were investigated. We found that the annealing process changes the surface morphology and absorption spectroscopy of the “black silicon” samples, and obtained a maximum sub-band-gap absorptance value of approximately 30% by annealing at 1000 °C for 30 min. The thermal relaxation and atomic structural transformation mechanisms are used to describe the lattice recovery and the increase and decrease of the substitutional dopant atom concentration in the microstructured surface during the annealing. Our results confirm that: i) owing to the thermal relaxation, the lattice defects decrease with the increase of the annealing temperature; ii) the quasi-substitutional and interstitial configurations of the doped atoms transform into substitutional arrangements when the annealing temperature increases; iii) the quasi-substitutional and interstitial configurations with higher energies of the doped atoms transform into interstitial configurations with the lowest energy after high-temperature annealing for a long period of time, causing the deactivation or reactivation of the sub-band-gap absorptance by diffusion. The results demonstrate that the annealing can improve the properties of “black silicon”, including defects repairing, carrier lifetime lengthening, and retention of a high absorptive performance.     

Sulfur-doped black silicon formed by metal-assist chemical etching and ion implanting

We fabricated sulfur-doped black silicon by metal-assist chemical etching (MCE) and ion implanting. The morphologies of silicon nanowire (SiNW) arrays and the concentration of sulfur in black silicon were analyzed by scanning electron microscope (SEM). Sulfur-doped black silicon shows higher absorption in entire 0.3–2.5 μm wavelength range as compared to undoped SiNW arrays and flat silicon. The changes in the absorption spectra of black silicon with different etching durations and annealing temperature are also shown. Upon annealing, the absorption decreases significantly in 2–2.5 μm wavelength region. The novel results clearly indicate that sulfur implanting could produce below band gap absorption in the silicon substrate.     

Broadband absorption enhancement in randomly positioned silicon nanowire arrays for solar cell applications

In this Letter, the optical properties of randomly positioned silicon nanowire arrays are studied. The result shows that position randomization with a filling ratio larger than 36% renders better absorptance over a broadband ranging from 300 to 1130 nm compared to regular structures. The ultimate efficiency of a 48% filling ratio position randomized nanowire structure is 13.4% higher compared to the optimized regularly arranged nanowire structure with the same thickness. The absorptance enhancement of random structures is attributed to lowered reflectance, more supported resonant modes, and broadening of existing resonance.     

An ultra‐black silicon absorber

An ultra‐black (A > 99%) broadband absorber concept on the basis of a needle‐like silicon nanostructure called Black Silicon is proposed. The absorber comprises Black Silicon established by inductively coupled plasma reactive ion etching (ICP‐RIE) on a highly doped, degenerated silicon substrate. Improved absorbers also incorporate an additional oxide capping layer on the nanostructures and reach an absorptance of A > 99.5% in the range of 350 to 2000 nm and A ∼ 99.8% between 1000 and 1250 nm. Fabrication of the absorbers is consistent with CMOS standards and requires no lithography. (Picture: Kasper, Friedrich‐Schiller‐University Jena)     

基于宇称时间对称结构实现石墨烯光增强吸收

为增强石墨烯对近红外通信波段光波的吸收,提出了一种基于周期性宇称-时间(Parity-time)对称结构的石墨烯基吸收器,该结构由顶层的石墨烯层和底层周期性PT对称单元构成.采用传输矩阵方法系统地研究了该结构中石墨烯对1450～1650 nm波长范围内光波的吸收特性.结果表明,通过优化石墨烯复合PT对称微纳结构参数,对...     

Hydrogenated amorphous silicon p-doping with diborane,trimethylboron and trimethylgallium

The uses of diborane, trimethylboron and trimethylgallium gases have been systematically compared in order to obtain p-type hydrogenated amorphous silicon grown in silane rf glow discharges. The doping properties and the contamination effects due to the thermal CVD have been investigated by an in situ Kelvin probe. This study, which has been completed by electrical (dark conductivity, activation energy and fill factor of standard p-i-n devices), and optical (a combination of transmission and photothermal deflection spectroscopy) measurements, indicates that trimethylboron doped layers have semiconducting properties similar to those of diborane doped layers. When trimethylboron is used, the contamination is shown to be reduced by at least a factor 50. In contrast, trimethylgallium, despite its acceptable doping efficiency, produces a contamination intermediate between the diborane and the trimethylboron ones. The effects of C incorporation in the doped layers have also been studied, in particular by optical absorption measurements in the band-edge region.     

Infrared radiative properties of two-dimensional square optical black holes

Optical black hole (OBH) is a special optical structure, in which the dielectric function or refractive index of media becomes gradually larger from the outside to the core. The circular optical black holes (COBH) have been proved remarkably useful for broadband omnidirectional light absorption. The main goal of this paper is to propose an alternative square structure of OBH due to fabrication consideration. The infrared radiative properties of two-dimensional SOBHs are numerically studied with geometric optics approximation (GOA) and the finite-difference time-domain (FDTD) method. A critical wavelength is found in this paper: when the wavelength is smaller than half of the inner core side length, the Poynting vectors obtained by the FDTD method agree well with the ray trajectories calculated by the GOA, and the absorptance is nearly 100% with a proper refractive index gradient. While the wavelength is increasing, the net energy flows do not agree with the ray trajectories and the absorptance will be decreased. The reason is attributed to the diffraction effect, which is discussed in detail in this paper.