火焰喷雾法合成ZnO和MgxZn1-xO纳米颗粒的光学性能研究

利用火焰喷雾法成功制备了纳米级的ZnO和Mgxzn1-xO颗粒.通过对样品的X射线衍射谱和场发射扫描电子显微镜照片分析,发现制备的颗粒大小较为均匀,直径在20 nm左右;镁元素的掺入引起晶格常数变小.通过透射光谱和光致发光谱的测量,发现MgxZn1-xO颗粒的禁带宽度远大于ZnO颗粒的禁带宽度,同时对两组样品的紫外发光和可见发光的强度变化和发光机理进行了探讨.     

Zn1-xCoxO稀磁半导体薄膜的结构及其磁性研究

利用X射线吸收精细结构、X射线衍射和磁性测量等技术研究脉冲激光气相沉积法制备的Zn_1-xCo_xO (x＝0.01,0.02)稀磁半导体薄膜的结构和磁性.磁性测量结果表明Zn₁-xCo_xO样品都具有室温铁磁性.X射线衍射结果显示其薄膜样品具有结晶良好的纤锌矿结构.荧光X射线吸收精细结构测试结果表明,脉冲激光气相沉积法制备的样品中的Co离子全部进入ZnO晶格中替代了部分Zn的格点位置,生成单一相的Zn_1-xCo_xO 稀磁半导体.通过对X射线吸收近边结构谱的分析,确定Zn_1-xCo_xO薄膜中存在O空位,表明Co离子与O空位的相互作用是诱导Zn_1-xCo_xO产生室温铁磁性的主要原因. 关键词： 1-xCo_xO稀磁半导体')" href="#">Zn_1-xCo_xO稀磁半导体 X射线吸收精细结构谱 脉冲激光气相沉积法     

纤锌矿BexZn1-xO合金能隙弯曲系数的第一原理研究

采用密度泛函理论框架下的第一性原理平面波超软赝势方法, 对纤锌矿Be_xZn_1-xO合金进行能隙特性、弯曲系数和结构参数的计算. 结果表明: Be_xZn_1-xO合金的能隙和弯曲系数都随Be掺杂组分的增大而增大. 通过修正Be_xZn_1-xO合金的能隙值得知其合金弯曲系数b为6.02 eV, 这与实验值接近. 纤锌矿Be_xZn_1-xO合金的能隙弯曲系数过大主要来源于体积形变和电荷转移的贡献. 文中还分析了Be_xZn_1-xO合金的晶格常数、 平均键长和平均次近邻原子距离与Be组分的关系.     

石英玻璃衬底上纤锌矿Mg0.25Zn0.75O薄膜的结构及光学性能

Mg_xZn_1-xO材料是一种新型光电功能材料.采用溶胶凝胶法在石英玻璃上制备了Mg_0.25Zn_0.75O薄膜,理论结合实验研究了Mg_0.25Zn_0.75O薄膜的结构和光学性能.研究表明,石英玻璃衬底上Mg_0.25Zn_0.75O薄膜呈六方纤锌矿结构,薄膜均匀,平均粒径约为20nm.吸收光谱表明吸收带边始于3 关键词： 0.25Zn_0.75O薄膜')" href="#">Mg_0.25Zn_0.75O薄膜 溶胶凝胶法 石英玻璃衬底 紫外发光     

Co掺杂对ZnO薄膜结构和性能的影响

采用PVA溶胶-凝胶方法，在玻璃衬底上制备了Zn_1-xCo_xO薄膜，利用X射线衍射仪(XRD)研究了不同Co含量对其微结构的影响.采用振动样品磁强计(VSM)测量了Zn_0.88Co_0.12O样品室温下的磁性.采用荧光光谱仪研究了Zn_1-xCo_xO样品室温下的发光特性，分析掺杂含量对其发光性能的影响，发现随着掺杂含量的增加，蓝光发光峰有一定的红移现象. 关键词： PVA方法 ZnO 掺杂     

镁含量和热处理对Zn1-xMgxO薄膜结构和发光性能的影响

采用溶胶-凝胶工艺在玻璃衬底上制备了Zn_1-xMg_xO(x=0.1,0.2,0.3, 0.4,0.5,0.6,0.7)薄膜.X射线衍射谱(XRD)测试结果发现,在 0.1<x<0.3 范围内,薄膜仍然保持氧化锌六角纤锌矿结构,(002)面衍射峰位向大角度方向移动,超过0.3时出现氧化镁立方相.对镁含量为0.1,0.2,0.3薄膜的光致发光谱研究表明：紫外发光峰随镁含量的增加向短波方向移动.对于Zn_0.9Mg_0.1O薄膜,在5,5.5和6℃/min的升温速率下,升温速率越快结晶程度越好.在相同升温速率下,随着退火温度从500 ℃升高到560 ℃,样品的结晶程度变好,当退火温度达到590 ℃时,结晶质量下降. 关键词： 氧化锌 结构 禁带宽度 光致发光谱     

过渡金属与F共掺杂ZnO薄膜结构及磁、光特性

采用溶胶-凝胶法在玻璃衬底上制备了过渡金属元素与F共掺杂Zn_0.98-xTM_xF_0.02O (TM_x=Cu_0.02, Ni_0.01, Mn_0.05, Fe_0.02, Co_0.05)薄膜, 进而利用X射线衍射仪、扫描电子显微镜、紫外-可见透过谱、光致发光及振动样品磁强计等研究了薄膜的表面形貌、微结构、禁带宽度及光致发光(PL)和室温磁学特性. 研究表明: 掺杂离子都以替位的方式进入了ZnO晶格, 掺杂不会破坏ZnO的纤锌矿结构. 其中Zn_0.93Co_0.05F_0.02O薄膜样品的颗粒尺寸最大, 薄膜的结晶度最好且c轴择优取向明显; Zn_0.93Mn_0.05F_0.02O薄膜样品的颗粒尺寸最小, 薄膜结晶度最差且无明显的c轴择优取; Cu, Ni, Fe与F共掺杂样品的颗粒尺寸大小几乎相同. TM掺杂样品均表现出很高的透过率, 同时掺杂后的薄膜样品的禁带宽度都有不同程度的红移. PL谱观察到Zn_0.98-xTM_xF_0.02O薄膜的发射峰主要由较强的紫外发射峰和较弱的蓝光发射峰组成. Zn_0.93Mn_0.05F_0.02O薄膜样品的紫外发光峰最弱, 蓝光发射最强, 饱和磁化强度最大; 与之相反的是Zn_0.96Cu_0.02F_0.02O薄膜, 其紫外发光峰最强, 蓝光发射最弱, 饱和磁化强度最小. 结合微结构和光学性质对Zn_0.98-xTM_xF_0.02O薄膜的磁学性质进行了讨论.     

制备工艺对Zn1-xMgxO薄膜结构及光学性能的影响

采用脉冲激光沉积（PLD）方法在单晶Si（100）衬底上沿c轴方向生长单晶Zn_1-xMg_xO薄膜,通过X射线衍射（XRD）、原子力显微镜（AFM）、扫描电镜（SEM）和荧光光谱（PL）研究了膜厚、Mg含量、退火温度及氧气氛等制备工艺对Zn_1-xMg_xO薄膜的结构、形貌和光学性质的影响.实验结果表明,Mg含量x≤0.15时, Zn_{关键词： 1-x}Mg_xO薄膜')" href="#">Zn_1-xMg_xO薄膜 制备工艺 结构 光学性质     

MnxSi1-x磁性薄膜的结构研究

利用X射线衍射(XRD)和X射线吸收近边结构(XANES)方法研究了在Si(100)衬底上及600℃温度条件下用分子束外延(MBE)共蒸发方法生长的Mn_xSi_1-x磁性薄膜的结构.由XRD结果表明,只有在高Mn含量(8％和17％)样品中存在着Mn₄Si₇化合物物相.而XANES结果则显示,对于Mn浓度在0.7%到17%之间的Mn_xSi_1-x样品,其Mn原子的XANES谱表现出了一致的谱线特征.基于多重散射的XANES理论计算进一步表明,只有根据Mn₄Si₇模型计算出的理论XANES谱才能够很好的重构出Mn_xSi_1-x样品的实验XANES谱.这些研究结果说明在Mn_xSi_1-x样品中,Mn原子主要是以镶嵌式的Mn₄Si₇化合物纳米晶颗粒存在于Si薄膜介质中,几乎不存在间隙位和替代位的Mn原子. 关键词： xSi_1-x磁性薄膜')" href="#">Mn_xSi_1-x磁性薄膜 分子束外延 XRD XANES     

Zn$lt;sub$gt;1-$lt;i$gt;x$lt;/i$gt;$lt;/sub$gt;Mg$lt;sub$gt;$lt;i$gt;x$lt;/i$gt;$lt;/sub$gt;O薄膜的光致发光特性研究

采用脉冲激光沉积方法在单晶Si（100）衬底上制备出c轴取向的Zn_1-xMg_xO单晶薄膜,通过荧光光谱仪研究了薄膜的光致发光特性.实验结果表明,Mg含量增加,Zn_1-xMg_xO单晶薄膜的紫外发光峰蓝移,发光峰强度减弱,缺陷发光强度增强.同时发现,由于Mg的掺杂,引入了一些束缚能较大的局域束缚态.对于氧气氛下制备的样品,实验发现紫外峰和绿光带发光峰同时增强,但是R值减小,紫外峰红移.对绿光发光机理研究发现,绿光发光带主要与锌空位、氧间隙（O_i）或锌位氧（O_Zn）等缺陷有关,它是由多个缺陷发光峰组成,各缺陷发光峰强度相对变化导致了绿光发光带的整体移动. 关键词： 1-xMg_xO薄膜')" href="#">Zn_1-xMg_xO薄膜 光致发光 脉冲激光沉积     

高温高压下Mg_xZn_(1-x)O固溶体的制备

研究了高温高压下制备MgxZn1-xO(0.30x0.60)固溶体的过程.在1000—2000℃和4—5.6GPa的条件下,制备出稳定的单一立方相MgxZn1-xO(x=0.4,0.5,0.6)固溶体,解决了常压下MgxZn1-xO的分相问题.通过X射线衍射仪和扫描电子显微镜等测试手段,对MgxZn1-xO样品进行了表征,阐明了立方相MgxZn1-xO的形成机制,给出了高压下MgxZn1-xO固溶体的温度与组分相图.     

Al和N共掺p型Zn1-xMgxO电子结构的第一性原理计算

采用密度泛函理论下的第一性原理平面波超软赝势方法,对Zn_1-xMg_xO超晶胞和掺杂Al,N后的Zn_1-xMg_xO超晶胞分别进行了优化计算.结合广义梯度近似计算了Al和N共掺杂后Zn_1-xMg_xO的能带结构、电子态密度和Mulliken电荷布居分布.计算表明：掺入N原子的2p态电子为Zn_1-xMg_xO价带顶提供空穴载流子,使Zn_1-xMg_xO价带顶向高能方向移动;掺入Al原子的3p态电子则与N原子的2p态电子在费米能级附近发生轨道杂化,使费米能级处价带能级展宽,Al和N共掺杂可获得p型Zn_1-xMg_xO. 关键词： 密度泛函理论 1-xMg_xO')" href="#">Zn_1-xMg_xO 电子结构 共掺杂     

Effects of In and Mg doping on properties of ZnO nanoparticles by flame spray synthesis

The Mg- and In-doped zinc oxide (Mg _x Zn_1−x O, In _y Zn_1−y O) nanoparticles were successfully prepared by flame spray synthesis method. According to the results obtained from X-ray diffraction (XRD), scanning electron microscopy (SEM), transmission electron microscopy (TEM), and UV–Vis absorption spectra, it was concluded that the Mg or In doping induced the lattice constants to change to some extent; the band gap of Mg _x Zn_1−x O also increased with respect to the decreasing band gap of In _y Zn_1−y O. Moreover, the strong UV emission and weak visible emission were investigated by photoluminescence spectra, while the mechanisms of Mg or In doping on PL spectra have been discussed in detail.     

Optical properties of Mg0.05Zn0.95O/SiO2 nanocomposite films prepared by sol–gel technique

Mg_0.05Zn_0.95O/SiO₂ nanocomposite films in the molar ratio 25:75 consisting of Mg_0.05Zn_0.95O nanoparticles embedded in a dielectric matrix were prepared by sol–gel technique (spin coating). Optical transmittance, Raman effect and photoluminescence measurements of the composites indicated effective capping of the Mg_0.05Zn_0.95O nanoparticles (radii 1. 61–1.68 nm) in the host showing practically no variation of particle size with the post deposition annealing treatments. The blue shift of the band gap (4.29–4.23 eV) from that of bulk Mg_0.05Zn_0.95O indicated strong carrier confinement for samples annealed at T ≤ 873 K. Highly intense UV emission ( ∼ 4.14 eV) compared to that of defect related emission (2.59 eV) at room temperature was obtained by incorporating 5% Mg in ZnO.     

Al和N共掺对Zn_(1-x)Mg_xO光学性质的影响

基于密度泛函理论第一性原理方法计算了Al和N共掺对Zn1-xMgxO在紫外光波段和可见光波段光学性质的影响.计算结果表明:光学性质变化主要发生在低能区,在高能区光学性质基本保持不变.介电函数虚部、吸收光谱和消光系数计算表明,Al和N共掺后Zn1-xMgxO的光学吸收边产生红移,对部分紫外光和可见光的吸收增强.介电函数实部和反射光谱计算表明,Al和N共掺后Zn1-xMgxO的反射峰强度增大,静态介电常数ε1(0)从2.64增大为3.23.能量损失谱的计算表明,Al和N共掺后Zn1-xMgxO的等离子体共振频率发生蓝移,共振频率的振幅增大.     

Optical properties of Mg<Subscript>0.05</Subscript>Zn<Subscript>0.95</Subscript>O/SiO<Subscript>2</Subscript> nanocomposite films prepared by sol–gel technique

Mg_0.05Zn_0.95O/SiO₂ nanocomposite films in the molar ratio 25:75 consisting of Mg_0.05Zn_0.95O nanoparticles embedded in a dielectric matrix were prepared by sol–gel technique (spin coating). Optical transmittance, Raman effect and photoluminescence measurements of the composites indicated effective capping of the Mg_0.05Zn_0.95O nanoparticles (radii 1. 61–1.68 nm) in the host showing practically no variation of particle size with the post deposition annealing treatments. The blue shift of the band gap (4.29–4.23 eV) from that of bulk Mg_0.05Zn_0.95O indicated strong carrier confinement for samples annealed at T ≤ 873 K. Highly intense UV emission ( ∼ 4.14 eV) compared to that of defect related emission (2.59 eV) at room temperature was obtained by incorporating 5% Mg in ZnO.This revised version was published online in August 2005 with a corrected issue number.     

Structural and optical properties of ZnO nanorods grown on MgxZn1−xO buffer layers

ZnO nanorod arrays were synthesized by chemical-liquid deposition techniques on Mg_xZn_1−xO (x = 0, 0.07 and 0.15) buffer layers. It is found that varying the Mg concentration could control the diameter, vertical alignment, crystallization, and density of the ZnO nanorods. The X-ray diffraction (XRD), transmission electron microscopy (TEM), and selected area electron diffraction (SAED) data show the ZnO nanorods prefer to grow in the (0 0 2) c-axis direction better with a larger Mg concentration. The photoluminescence (PL) spectra of ZnO nanorods exhibit that the ultraviolet (UV) emission becomes stronger and the defect emission becomes weaker by increasing the Mg concentration in Mg_xZn_1−xO buffer layers.     

Tailoring the optical properties of MgxZn1?xO thin films by nitrogen doping

Thin films of Mg _x Zn_1−x O and Mg _x Zn_1−x O doped with nitrogen were deposited by Radio Frequency plasma beam assisted Pulsed Laser Deposition (RF-PLD) in oxygen or oxygen-nitrogen discharge with different nitrogen/oxygen ratios. A Nd:YAG laser working at a wavelength of 266 nm, having a 10 Hz repetition rate was used for the depositions. The energy density of the incident beam was 3 J/cm² and the RF power was set to 100 W for all the samples. X-ray Diffraction (XRD) and Spectroscopic Ellipsometry (SE) were employed to investigate the samples. The degree of crystallinity is fount to decrease with increasing the Mg concentration, while the solubility of Mg in ZnO increases by 30% in the N-doped Mg _x Zn_1−x O thin films grown by RF-PLD. Segregation of MgO phase at a Mg concentration of 30% for Mg _x Zn_1−x O thin film is detected both by XRD and SE. The band gap of the samples increases from 3.37 up to 3.57 eV with increasing the Mg concentration and the nitrogen/oxygen ratio for each Mg concentration. A dependence of the dielectric function (refractive index) on both stoichiometry and degree of crystalinity is also found, the refractive index having values between 1.7 and 2 in visible spectral range.     

Luminescence from ZnO/MgO nanoparticle structures prepared by solution techniques

The optical and structural properties of mixed ZnO/MgO particles prepared by solution techniques are investigated by the cathodoluminescence and electron microscopy techniques. The samples annealed at 400–1000 °C show well crystalline wurtzite structure of the ZnO (MgZnO) particles with the size in range of 10–100 nm. Annealing at high temperatures (>700 °C) leads to Mg diffusion in ZnO and Mg_xZn_1−xO alloy formation. The blue shifts of the near-band-edge emission as a result of the alloy band gap widening and quantum confinement effect for the small size particles are demonstrated.