Li,N双受主共掺杂实现p型ZnO的第一性原理研究

基于密度泛函理论,采用第一性原理平面波超软赝势法,首先对六方纤锌矿结构的ZnO晶体和N,Li分别掺杂ZnO以及Li-N共掺杂ZnO晶体的几何结构分别进行了优化计算,在此基础上计算得到了未掺杂ZnO晶体和不同掺杂情况下ZnO晶体的能带结构、总体态密度、分波态密度和电荷布居数.利用计算的结果,从理论上分析了Li-N共掺杂ZnO更容易得到稳定的p型ZnO. 关键词： ZnO 电子结构 第一性原理 p型共掺杂     

Ag掺杂p型ZnO薄膜及其光电性能研究

采用超声喷雾热分解法在石英衬底上以醋酸锌水溶液为前驱体,以硝酸银水溶液为Ag掺杂源生长了Ag掺杂ZnO(ZnO：Ag)薄膜.研究了衬底温度对所得ZnO：Ag薄膜的晶体结构、电学和光学性质的影响规律.所得ZnO：Ag薄膜结构良好,在室温光致发光谱中检测到很强的近带边紫外发光峰,透射光谱中观测到非常陡峭的紫外吸收截止边和较高的可见光区透过率,表明薄膜具有较高的晶体质量与较好的光学特性.霍尔效应测试表明,在500℃下获得了p型导电的ZnO：Ag薄膜,载流子浓度为5.30×10¹⁵cm关键词： ZnO：Ag薄膜 p型掺杂 超声喷雾热分解 霍尔效应     

Co,Sn共掺ZnO薄膜结构与光致发光的研究

采用溶胶-凝胶旋涂法在玻璃衬底上制备了Co,Sn掺杂ZnO系列薄膜.通过金相显微镜和X射线衍射(XRD)研究了Co与Sn掺杂对薄膜的表面形貌和微结构的影响.XRD结果表明,所有ZnO薄膜样品都存在(002)择优取向,特别Sn单掺ZnO薄膜的c轴择优取向最为显著,而且晶粒尺寸最大.XPS测试表明样品中Co和Sn的价态分别为2+和4+,证实Co²⁺,Sn⁴⁺进入了ZnO的晶格.室温光致发光谱(PL)显示在所有的样品中都有较强的蓝光双峰发射和较弱的绿光发 关键词： ZnO薄膜 溶胶-凝胶 掺杂 光致发光     

N离子注入富氧ZnO薄膜的p型导电及拉曼特性研究

采用射频磁控溅射法在富氧环境下制备ZnO薄膜, 继而结合N离子注入及热退火实现薄膜的N掺杂及p 型转变, 借助霍尔测试和拉曼光谱研究了N离子注入富氧ZnO薄膜的p型导电及拉曼特性. 结果表明, 在 600 ℃温度下退火120 min可获得性能较优的p-ZnO: N薄膜, 其空穴浓度约为2.527×10¹⁷ cm^-3. N离子注入ZnO引入了三个附加拉曼振动模, 分别位于274.2, 506.7和640.4 cm^-1. 结合电学及拉曼光谱的分析发现, 退火过程中施主缺陷与N受主之间的相互作用对p-ZnO的形成产生重要影响.     

Li-N, Li-2N共掺p型ZnO的第一性原理研究

利用密度泛函理论, 计算了本征ZnO, Li-N共掺杂ZnO及Li-2N共掺杂ZnO的电子结构. 计算结果表明, Li-N及Li-2N共掺杂ZnO体系的Fermi能级均不同程度地进入价带顶, 并在Fermi能级附近形成浅的受主能级, 这说明, Li, N原子共掺杂可获得稳定的p型ZnO;与Li-N掺杂ZnO体系相比, Li-2N掺杂ZnO体系进一步提高了体系的载流子浓度, 更有利于获得p型ZnO.     

(Li,Cu)掺杂ZnO薄膜的发光性质

利用溶胶-凝胶(Sol-gel)法在n型si(100)衬底上制备(Li,Cu)掺杂ZnO薄膜,研究了室温下薄膜的结构、形貌和光致发光性能.研究结果表明,随着Li掺杂浓度的增加,可见光发光强度增加,可见光发射可能是源于单电离氧窄位到价带顶以及单电离氧空位到Li替位Zn(Lizn)受主跃迁的双重作用.与此类似,Cu掺杂Zn...     

电子束退火法制备Li-N共掺杂多晶ZnO薄膜

为研究电子束退火对Li-N共掺杂Zn O薄膜性能的影响,首先利用溶胶-凝胶旋涂法在p型Si(111)衬底上制备Li-N共掺杂的Zn O前驱膜,然后用电子束对前驱膜进行退火。退火时,电子束加速电压10 k V,退火时间5 min,聚焦束流123 m A,束流为0.7~1.9 m A,最后得到Li-N共掺杂的Zn O薄膜。XRD谱分析表明,当束流高于1.5 m A之后,薄膜为六方Zn O和立方Zn O的混合多晶薄膜,且有金属Zn生成,导致薄膜有较强的绿光发射。SEM图片分析显示,薄膜的晶粒尺寸随束流增加而增大,当束流高于1.5 m A后,晶粒尺寸变化不大,约为60 nm。光致发光(PL)谱和激光拉曼谱的分析结果证实Li、N元素已掺入Zn O晶格中,PL谱中观察到Li元素掺杂引起的紫光发射,拉曼散射光谱中观察到N替代O位的缺陷振动模式。     

Zn1-xMgxO薄膜p型导电和光学性能

采用超声喷雾热分解(Ultrasonic Spray Pyrolysis,USP)方法,以醋酸锌、醋酸镁、醋酸铵、氯化铝的混合水溶液为前驱溶液,在单晶Si(100)衬底上制备了ZnO,Zn_0.81Mg_0.19O,N-Al共掺杂ZnO和N-Al共掺杂Zn_0.81Mg_0.19O薄膜。以X射线衍射(XRD)、场发射-扫描电镜(FE-SEM)、霍尔效应(Hall-effect)、光致发光(Photoluminescence,PL)谱等手段研究了薄膜的晶体结构、表面形貌、电学性能、光学性能和带隙变化。电学测试结果表明,未掺杂ZnO及Zn_0.81Mg_0.19O薄膜为n型导电;而N-Al共掺杂ZnO和N-Al共掺杂Zn_0.81Mg_0.19O薄膜呈p型导电。Zn_0.81Mg_0.19O和N-Al共掺杂Zn_0.81Mg_0.19O(p型)薄膜在维持ZnO纤锌矿结构的前提下,光学带隙随Mg掺杂量增加而增大。初步结果显示,优化工艺参数下通过Mg掺杂制备光学带隙可调的p型Zn_0.81Mg_0.19O薄膜,对于试制Zn_1-xMg_xO基同质p-n结、短波长(紫外、深紫外)器件等方面有重要意义。     

Co与Cu掺杂ZnO薄膜的制备与光致发光研究

采用溶胶-凝胶旋涂法在玻璃衬底上制备了Co, Cu单掺杂及Co,Cu共掺杂ZnO薄膜.用金相显微镜观察了Co与Cu掺杂对ZnO薄膜形貌的影响.X射线衍射（XRD）研究揭示所有ZnO薄膜样品都存在（002）择优取向,在Cu单掺的ZnO薄膜中晶粒尺寸最大.对所有样品的室温光致发光测量都观察到较强的蓝光双峰发射和较弱的绿光发射,其中长波长的蓝光峰和绿光峰都能够通过掺杂进行控制.对不同掺杂源的ZnO薄膜发光性能进行了分析,认为蓝光峰来源于电子由导带底到锌空位能级的跃迁及锌填隙到价带顶的跃迁,绿光峰是由于掺杂造成的 关键词： ZnO薄膜 溶胶-凝胶 Co Cu掺杂 光致发光     

衬底温度对MOCVD法沉积ZnO透明导电薄膜的影响

研究了衬底温度对MOCVD技术制备的ZnO薄膜的微观结构和光电特性影响. XRD和SEM的研究结果表明，衬底温度对ZnO薄膜的微观结构有显著影响，明显的形貌转变温度大约发生在175℃，低于175℃，薄膜呈镜面结构，晶粒为球状，高于177℃的较高温度范围，薄膜从“类金字塔”状的绒面结构演化为“岩石”状显微组织；随着温度增加，薄膜的晶粒尺寸明显增大.绒面结构的未掺杂ZnO薄膜具有17.96 cm²/V·s的高迁移率和3.28×10^-2 Ω·cm的低电阻率，对ZnO薄膜的进一步掺杂和结构优化有望应用于Si薄膜太阳电池的前电极. 关键词： MOCVD ZnO薄膜 透明导电氧化物 太阳电池     

Effects of growth temperature on Li-N dual-doped p-type ZnO thin films prepared by pulsed laser deposition

Li-N dual-doped p-type ZnO (ZnO:(Li,N)) thin films have been prepared by pulsed laser deposition. The introduction of Li and N was confirmed by secondary ion mass spectrometry measurements. The structural, electrical, and optical properties as a function of growth temperature were investigated in detail. The lowest room-temperature resistivity of 3.99 Ω cm was achieved at the optimal temperature of 450 °C, with a Hall mobility of 0.17 cm²/V s and hole concentration of 9.12 × 10¹⁸ cm⁻³. The ZnO:(Li,N) films exhibited good crystal quality with a complete c-axis orientation, a high transmittance (about 90%) in the visible region, and a predominant UV emission at room temperature. The two-layer-structure p-ZnO:(Li,N)/n-ZnO homojunctions were fabricated on a sapphire substrate. The current-voltage characteristics exhibited the rectifying behavior of a typical p-n junction.     

Preparation and characterization of transparent conducting Zn−Sn−O films deposited on organic substrates at low temperature

Transparent conducting Zn−Sn−O films were deposited on Polypropylene adipate thin-film substrates at low temperature by r. f. magnetron sputtering. The structural, electrical and optical properties of the deposited films were investigated. All the obtained films are of amorphous structure and have a very good adhesion to the substrates. The resistivity, carrier concentration and Hall mobility of the film are 1.3×10⁻² Ω·cm, 4.1×10¹⁹ cm⁻³ and 12.4 cm²· V⁻¹· s⁻¹, respectively. The transmittance of the film reaches 82%.     

Influence of polarity inversion on the electrical properties of Ga‐doped ZnO thin films

This study investigates how polarity inversion influences the relationship between the electrical properties of heavily Ga‐doped ZnO (GZO) films deposited by RF magnetron sputtering and their thickness. The electrical properties observed in very thin films are correlated with a change of polarity from O‐polar to Zn‐polar face upon increasing the film thickness based on results of valence band spectra measured by X‐ray photoelectron spectroscopy. It is found that the electrical properties of very thin GZO films deposited on Zn‐polar ZnO templates are significantly improved compared to those deposited on O‐polar face. A low resistivity of 2.62 × 10^–4 Ω cm, high Hall mobility of 26.9 cm²/V s, and high carrier concentration of 8.87 × 10²⁰ cm^–3 being achieved with 30 nm‐thick GZO films using Zn‐polar ZnO templates on a glass substrate. In contrast, the resistivity of 30 nm‐thick GZO films on bare glass that shows more likely O‐polar is very poor about 1.44 × 10^–3 Ω cm with mobility and carrier concentration are only 11.9 cm²/V s and 3.64 × 10²⁰ cm^–3, respectively. It is therefore proposed that polarity inversion plays an important role in determining the electrical properties of extremely thin GZO films. (© 2016 WILEY‐VCH Verlag GmbH &Co. KGaA, Weinheim)     

Stable p-ZnO thin films by oxygen control using reverse spray dynamics

Semiconducting ZnO thin films were deposited on glass substrates by a modified CVD method using reverse spray of the precursor solutions. The films were characterized by X-ray diffraction (XRD) and Hall effect measurements at room temperature. The results of XRD analysis revealed polycrystalline nature of the grown films with different crystallographic orientations. The type of conductivity and the carrier concentration as determined from Hall effect measurements were dependent on the deposition temperature and annealing conditions. Oxygen control at 220 °C produced p-ZnO film with high hole mobility (193 cm²/V s). The electrical conductivity was correlated to the stoichiometry of the grown films.     

Hall effect and magnetoresistance of (SN)x films

Hall effect and electrical conductivity have been investigated between 77 K and 300 K and the magnetoresistance at 4.2 K for a number of (SN)_x films deposited at substrate temperatures between — 10 and 50°C. The small magnitude of the Hall mobility (? 1 cm² Vsec^?1 at 300 K) and its activated temperature dependence are interpreted in terms of a heterogenous model for (SN)_x films with thin depletion layers separating highly conductive islands. The hole concentration in these islands (p ≈ 10²¹ cm^?3, the microscopic mobility (μ ≈ 500 cm² Vsec^?1 at 4.2 K) and the temperatures dependence of μ are found to be close to values for (SN)_x crystals.     

Substitution mechanism of Ga for Zn site depending on deposition temperature for transparent conducting oxides

High quality transparent conductive gallium-doped zinc oxide (GZO) thin films were deposited on glass substrates using rf-magnetron sputtering system at the temperature ranging from room temperature (RT) to 500 °C. The temperature-dependence of Ga doping effect on the structural, optical and electrical properties in ZnO has been investigated. For the GZO thin films deposited at over 200 °C, (103) orientation was strongly observed by X-ray diffraction analysis, which is attributed to the substitution of Ga elements into Zn site. X-ray photoelectron spectroscopy measurements have confirmed that oxygen vacancies were generated at the temperature higher than 300 °C. This might be due to the effective substitution of Ga³⁺ for Zn site at higher temperature. It was also found that the optical band gap increases with deposition temperature. The optical transmittance of GZO thin films was above 87% in the visible region. The GZO thin films grown at 500 °C showed a low electrical resistivity of 4.50 × 10^?4 Ω cm, a carrier concentration of 6.38 × 10²⁰ cm^?3 and a carrier mobility of 21.69 cm²/V.     

NH3气氛处理制备p型ZnO薄膜及性能表征

采用NH₃气氛处理直流/射频共溅射方法制得的ZnO：Al薄膜,从而获得Al+N共掺p型ZnO薄膜.XRD,场发射扫描电子显微镜测试及Hall效应测试发现,处理温度对ZnO薄膜的结构和电学性能具有较大的影响,其中处理温度为700℃时,薄膜具有较好的c轴择优取向,并且薄膜表面平整,结构紧密,晶粒大小均匀,无明显空洞和裂缝,具有良好的表面质量,晶粒尺寸约为40—60nm,薄膜的导电类型由n型转变为p型. 关键词： p型ZnO Al+N共掺杂 直流/射频共溅射     

Investigation of structural,optical and electrical properties of ZnS thin films prepared by nebulized spray pyrolysis for solar cell applications

Zinc sulfide (ZnS) thin films have been deposited on microscopic glass and fluorine doped tin oxide substrates by nebulized spray pyrolysis technique with different substrate temperature and molar concentration. The structural, morphological, optical and electrical properties of the prepared ZnS thin films have been studied using X-ray diffraction (XRD), field emission scanning electronic microscopy (FESEM), UV–Vis spectrophotometer and Hall effect measurement. XRD patterns confirm that the prepared films are hexagonal wurtzite structure, with (100) as preferred orientation. The structural parameters such as crystallite size, dislocation density and microstrain have been calculated from XRD study. Hydrophilic and hydrophobic nature is revealed by contact angle measurements. FESEM image of the ZnS thin films show smooth and uniform spherical grains are uniformly arranged on the films surface. Optical transmittance spectrum illustrate that the ZnS films were high transparent in the visible region and gets absorbed in the UV region. The optical band gap value of the ZnS thin films decreased with the increasing substrate temperature. The average transmittance is found to be 82% and direct band gap value is 3.56 eV at 400 °C for set D. The Activation energy of the prepared ZnS films was determined from the graph between ln (ρ) versus temperature (K^?1) using a four-probe method.     

Highly transparent and conductive indium tin oxide thin films for solar cells grown by reactive thermal evaporation at low temperature

Transparent conductive tin-doped indium oxide (In₂O₃:Sn, ITO) thin films with various Sn-doping concentrations have been prepared using the low cost reactive thermal evaporation (RTE) technique at a low growth temperature of ~160 °C. The structural characteristics, optical and electrical properties of the ITO thin films were investigated. These polycrystalline ITO films exhibited preferential orientation along (222) plane and possessed low resistivities ranging from 3.51 to 5.71 × 10^?4 Ω cm. The decreased mobility was attributed to the scattering by ionized and neutral impurities at high doping concentrations. The optimized ITO thin film deposited with 6.0 wt% Sn-doping concentration exhibited a high average transparency of 87 % in the wavelength range of 380–900 nm and a low resistivity of 3.74 × 10^?4 Ω cm with a high Hall mobility of 47 cm² V^?1s^?1. A hydrogenated amorphous silicon and silicon–germanium (a-Si:H/a-SiGe:H) double-junction solar cell fabricated with the RTE-grown ITO electrodes presented a conversion efficiency of 10.51 %.