B掺杂ZnO透明导电薄膜的实验及理论研究

采用脉冲直流磁控溅射技术与基于密度泛函理论的平面波赝势方法对B掺杂ZnO （BZO）薄膜进行了研究. 以B₂O₃：ZnO陶瓷靶为溅射靶材,制备了低电阻率、可见和近红外光区高透过率的BZO薄膜. 系统地研究了衬底温度对BZO薄膜的结构、光电特性的影响. 结果表明：适当的增加衬底温度可以促进BZO薄膜结晶质量改善,晶粒尺寸增加,迁移率增大,电阻率降低. 在200 ℃时制备了电阻率为7.03×10^-4 Ω·cm,400–1100 nm平均透过率为89%的BZO薄膜. 理论模拟结果表明：在BZO薄膜中,以替位方式掺入的B （B_Zn）的形成能最低,B主要以替位形式掺入ZnO,其次分别为八面体间隙（B_IO）和四面体间隙（B_IT）的掺杂方式. B 掺入后,费米能级穿过导带,材料表现出n型半导体特性,光学带隙展宽,导电电子主要来源于B 2p,O 2p及Zn 4s电子轨道. 关键词： BZO薄膜 第一性原理计算 磁控溅射 太阳电池     

氢退火对LPCVD生长的ZnO薄膜光学和电学性能的影响

采用低压化学气相沉积(LPCVD)在玻璃衬底上制备了B掺杂ZnO(BZO)薄膜,研究了氢气气氛退火对BZO薄膜光学性能和电学性能的影响。结果表明:在氢气气氛下退火后,BZO薄膜的物相结构和透光率基本无变化,但BZO薄膜的导电能力却明显提高。Hall测试结果表明:在氢气下退火时载流子浓度基本保持不变,但迁移率却明显提高。实验结果可为进一步提高BZO薄膜的光学电学综合性能提供借鉴。     

氢退火的BZO前电极对非晶硅薄膜太阳能电池性能的影响

采用低压化学气相沉积方法在玻璃衬底上制备了B掺杂的ZnO（BZO）薄膜,通过氢退火对BZO进行处理,然后作为前电极进行了非晶硅薄膜太阳能电池的制备及性能研究。结果表明：在氢气气氛下退火后,BZO薄膜的载流子浓度基本无变化,但Hall迁移率显著提高,这使得BZO薄膜的导电能力提高;当采用厚度较小、透光率较高的BZO薄膜进行氢退火后作为前电极结构时,非晶硅薄膜太阳能电池的短路电流密度提高0.3~0.4 mA/cm²,电池的转化效率提高0.2%。实验结果可为通过优化前电极结构来提高非晶硅薄膜太阳能电池转化效率提供一种简易的方法。     

退火温度对新型有源层WZTO薄膜晶体管性能的影响

通过溶液法制备了新型有源层钨锌锡氧化物(WZTO)薄膜晶体管(TFT),研究了不同退火温度对WZTO薄膜和TFT器件性能的影响。XRD结果表明即使退火温度达到500℃,WZTO薄膜仍为非晶态结构。W掺杂显著降低了薄膜表面粗糙度,其粗糙度均从0. 9 nm降低到0. 5 nm以下;但不影响薄膜可见光透过率,其透过率均大于85%。同时XPS分析证实随退火温度升高,WZTO薄膜中对应氧空位的峰增加。制备的WZTO器件阈值电压由8. 04 V降至3. 48 V,载流子迁移率随着退火温度的升高而增大,开关电流比达到107。     

波段外激光辐照光导型InSb探测器的一种新现象

利用不同功率密度的10.6 μm(光子能量为0.12 eV)连续激光辐照了禁带宽度为0.228 eV的光导型锑化铟探测器, 得到了与以往报道不同的实验现象. 当10.6 μm波段外激光辐照光导型探测器时, 探测器吸收激光能量后温度升高. 在探测器的温升过程中, 存在一个转变温度T₀. 当探测器的温度T<T₀时, 载流子浓度基本不变, 迁移率随温度的升高呈T^-2.35趋势下降, 引起探测器的电导率减小, 电阻增大, 响应输出电压升高; 当T>T₀时, 热激发载流子浓度随温度的升高呈指数增长, 电阻急剧下降, 超过了载流子迁移率降低对电阻的影响, 响应输出急剧下降. 光电导探测器在较高功率密度波段外激光辐照下的响应特性是载流子的浓度和迁移率在温度影响下相互作用的结果. 这对进一步完善半导体内载流子输运模型提供了实验依据.     

In_2O_3:Sn中间层改善B掺杂ZnO薄膜的性能及其应用研究

金属有机化学气相沉积(MOCVD)法生长的掺硼氧化锌(BZO)薄膜,具有天然的"类金字塔"绒面结构,作为硅基薄膜太阳电池的前电极具有良好的陷光效果.但直接获得的BZO薄膜表面形貌过于尖锐,影响后续硅基薄膜材料生长质量及太阳电池的光电转换效率.本文设计了以一层超薄In2O3:Sn(ITO)薄膜(～4 nm厚度)作为中间层的多层膜,并通过对顶层BZO薄膜的厚度调制,改善BZO薄膜的表面特性,薄膜结构为:glass/底层BZO/ITO/顶层BZO.合适厚度的顶层BZO薄膜有助于获得类似"菜花状"形貌特征,尖锐的表面趋于"柔和",而较厚的顶层BZO薄膜仍然保持"类金字塔状"结构."柔和"的BZO薄膜表面结构有助于提高后续生长薄膜电池的结晶质量.将获得的新型"三明治"结构多层膜应用于p-i-n型氢化微晶硅(μc-Si:H)薄膜太阳电池,相比传统的BZO薄膜,电池的量子效率QE在500—800 nm波长范围提高了～10%,并且电池的Jsc和Voc均有所提高.     

生长温度对Ga掺杂ZnO薄膜光电性能的影响

在不同衬底温度(室温~750 ℃)条件下,采用脉冲激光沉积(PLD)方法在石英玻璃和单晶硅(111)衬底上制备了Ga掺杂ZnO(GZO)薄膜。结果显示:衬底温度的变化导致衬底表面吸附原子扩散速率和脱附速率的不同,从而导致合成薄膜结晶质量的差异,衬底温度450 ℃时制备的GZO薄膜具有最好的结晶特性;GZO薄膜中载流子浓度随衬底温度升高而单调减小的现象与GZO薄膜中的本征缺陷密切相关,晶界散射强度的变化导致迁移率出现先增大后减小的趋势,衬底温度450 ℃时制备的GZO薄膜具有最小的电阻率~0.02 Ω·cm;随着衬底温度的升高,薄膜载流子浓度的单调减小导致了薄膜光学带隙变窄,所有合成样品的平均可见光透过率均达到85%以上。采用PLD方法制备GZO薄膜,衬底温度的改变可以对薄膜的光电性能起到调制作用。     

金属有机物化学气相沉积生长GaN薄膜的室温热电特性研究

采用金属有机物化学气相沉积技术生长了不同掺杂浓度的GaN薄膜, 并且通过霍尔效应测试和塞贝克效应测试, 表征了室温下GaN薄膜的载流子浓度、迁移率和塞贝克系数. 在实验测试的基础上, 计算了GaN薄膜的热电功率因子, 并且结合理论热导率确定了室温条件下GaN薄膜的热电优值(ZT). 研究结果表明: GaN薄膜的迁移率随着载流子浓度的增加而减小, 电导率随着载流子浓度的增加而增加; GaN 薄膜材料的塞贝克系数随载流子浓度的增加而降低, 其数量级在100–500 μV/K范围内; GaN薄膜材料在载流子浓度为1.60×10¹⁸ cm^-3时, 热电功率因子出现极大值4.72×10^-4 W/mK²; 由于Si杂质浓度的增加, 增强了GaN薄膜中的声子散射, 使得GaN薄膜的热导率随着载流子浓度的增加而降低. GaN薄膜的载流子浓度为1.60×10¹⁸ cm^-3时, 室温ZT达到极大值0.0025.     

Cd(S,Se)薄膜的结构及退火环境对其电导性能的影响

分析了两种Cd(S,Se)薄膜的结构特征.讨论了薄膜在不同退火环境中的电导率、迁移率和载流子浓度随退火温度的变化规律.结果表明,空气中退火的掺杂烧结膜电导率随退火温度升高而减小,主要由迁移率减小所致;氮气中退火的烧结膜电导率随退火温度升高而增大,主要是由载流子浓度增大引起的.蒸发膜在不同气氛下退火,电导都随温度升高而增大,同时迁移率和载流于浓度都有增加.在光激发下,氮气和空气中退火的掺杂烧结膜表现出相反的温度依赖关系.利用Seto模型计算的结果与实验值基本符合. 关键词：     

金纳米薄膜导电和导热性质的实验研究

由于尺寸效应和晶界效应的影响,纳米薄膜在导电和导热方面呈现出与体材料不同的性质.本文实验研究了不同厚度(20～54 nm)金薄膜在不同温度(100～340 K)的导电、导热性质.测量结果显示,薄膜的电导率和热导率比体材料小,洛伦兹数比体材料大,Wiedemann-Franz定律不再成立.随着厚度增加,薄膜的电导率,热导率和电阻温度系数都增加.薄膜热导率随温度变化趋势与体材料相反,随着温度升高而升高.电导率随温度变化趋势与体材料相同,随着温度升高而降低;但薄膜没有体材料对温度变化敏感,导致电阻温度系数下降.     

Hall effect and pinning regimes in thin films doped with nanoparticles

Hall effect and flux pinning in YBa₂Cu₃O_6+x (YBCO) thin films doped with BaZrO₃ (BZO) nanoparticles is investigated. The results show that sign reversal of the Hall coefficient from positive hole-like to negative electron-like occurs in vortex-liquid regime of undoped and BZO-doped YBCO films. With increasing BZO concentration the amplitude of the negative Hall effect is suppressed while the temperature position of the anomalous Hall effect does not depend significantly on doping level. In addition, it is shown that Hall conductivity increases non-monotonically with increasing BZO doping. These results support a model where BZO at low doping concentration induces point pinning centres turning to strong columnar pinning defects in films doped with 4% BZO.     

Deposition and characterization of YBCO films with BZO inclusions on single crystal substrate

YBa₂Cu₃O_7?δ thin films with BaZrO₃ (BZO) inclusions have been deposited on SrTiO₃ substrates in order to study the effect of nanoparticles addition into YBCO matrix. Samples with 7% (mol) BZO content were obtained by PLD varying the deposition conditions, in order to evaluate their effect on the films transport properties. The change in deposition parameters, especially of the deposition temperature, has been discovered to be efficient for a reduction or complete recovery of the critical temperature decrease produced by BZO addition. The effect of the deposition temperature on in-field films transport properties as well as on the presence of c-axis correlated defects typically ascribable to nanoparticles addition, can be recognised in an improvement in J_C retention in applied magnetic field and, for higher temperatures, the appearance of correlated pinning contribution, as confirmed by pinning force density measurements.     

Effect of Al-doping on optical and electrical properties of spray pyrolytic nano-crystalline CdO thin films

CdO and Al-doped CdO nano-crystalline thin films have been prepared on glass at 300 °C substrate temperature by spray pyrolysis. The films are highly crystalline with grain size (18–32 nm) and found to be cubic structure with lattice constant averaged to 0.46877 nm. Al-doping increased the optical transmission of the film substantially. Direct band gap energy of CdO is 2.49 eV which decreased with increasing Al-doping. The refractive index and dielectric constant varies with photon energy and concentration of Al as well. The conductivity of un-doped CdO film shows metallic behavior at lower temperature region. This behavior dies out completely with doping of Al and exhibits semiconducting behavior for whole measured temperature range. Un-doped and Al-doped CdO is an n-type semiconductor having carrier concentration is of the order of ∼10²¹ cm⁻³, confirmed by Hall voltage and thermo-power measurements.     

Spray pyrolytic synthesis of large area NiOx thin films from aqueous nickel acetate solutions

Non-stoichiometric nickel oxide thin films were prepared by pyrolytic decomposition of aerosol droplets of aqueous nickel acetate solution. Conventional un-nebulized spray pyrolysis system was used for the synthesis of thin films. The fine droplets were atomized by employing compressed air as carrier gas and allowed to decompose onto pre-heated Sn doped In₂O₃ (ITO) coated glass. The preparative parameters such as substrate temperature, solution concentration, distance from spray-nozzle to substrate, pressure of carrier air, etc., were optimized to obtain large area, uniform, thin films. The appropriate substrate temperature was selected after thermo-gravimetric analysis of nickel acetate. The temperature range of 330-420 °C was investigated for pyrolysis. Structural studies using X-ray diffraction (XRD) show the formation of cubic NiO. Morphological aspects of the films as-prepared and air annealed films have been studied by employing scanning electron microscopy. The optical absorption studies give direct band gap equal to 3.61 eV. The compositional analysis was carried out from the elemental depth profiles employing Auger electron spectroscopy. These indicate the formation of non-stoichiometric nickel oxide thin films. By studying I-V characteristics in alkaline electrolyte, electrocatalytic activity is tested.     

Growth mechanism and optoelectronic properties of nanocrystalline In2O3 films prepared by chemical spray pyrolysis of metal-organic precursor

Thin films of indium oxide, In₂O₃, were deposited by chemical spray pyrolysis technique, using aqueous alcoholic solutions of indium acetylacetonate (In-acac) precursor, on glass substrates kept at temperatures between 300 and 500 °C. The structural, optical, and electrical properties have been investigated as a function of deposition temperature, precursor concentration, carrier gas pressure, and substrate-to-nozzle distance. X-ray diffraction studies showed that the formation of nanocrystalline In₂O₃ films is preferentially oriented along (2 2 2) plane. The surface morphological modifications with substrate temperature were observed using scanning electron and atomic force microscopic studies. Optical transmittance behavior of the films in the visible and IR region was strongly affected by the deposition parameters. The optical band gap values observed are between 3.53 and 3.68 eV. The long wavelength limit of refractive index is 1.83. The Hall mobility is found to vary from 23 to 37 cm²/V s and carrier density is found nearly constant at about 10²⁰ cm⁻³.     

The effect of BZO doping concentration and thickness dependent properties of YBCO films grown by PLD on buffered NiW substrates

The effect of BaZrO₃ (BZO) doping is systematically studied in YBa₂Cu₃O_6+x (YBCO) thin films deposited by pulsed laser deposition (PLD) on buffered NiW substrates. Based on the structural and magnetic properties, the optimal BZO doping concentration is obtained to vary between 4 and 7.5 wt.%, depending mainly on applied magnetic field. This relatively high optimal concentration is linked to the nanograined target material and metal substrate that cause low-angle grain-boundaries and in-plane spread of YBCO crystals on NiW. Thickness dependent analysis of undoped and BZO-doped YBCO films predicts differences in growth mechanisms where early growth next to the substrate interface is 2D-type in BZO-doped films. This leads to the situation where crystallographic structure as well as superconducting properties are improved when the film develops and the thickness is increased. Therefore from the resistivity measurements a threshold thicknesses where reasonable properties occur are determined for both set of films. Measurements in thermally activated flux-flow regime (TAFF) indicate that above the threshold thickness relatively strong and isotropic vortex pinning is realized in BZO-doped YBCO films. Generally, this paper demonstrates that especially for thin film applications on NiW substrates even more compatible buffer layer structures should be utilized.