Ni掺杂ZnO薄膜的结构与光学特性研究

使用射频磁控溅射法成功制备了不同掺杂浓度（0—7at.%）的ZnO:Ni薄膜.X射线衍射的θ-2θ和摇摆曲线扫描结果表明,5at.%Ni掺杂ZnO薄膜具有沿c轴方向最佳的择优取向生长特性,（002）衍射峰向大角度方向移动揭示了Ni杂质被掺入ZnO晶格中占据Zn位.ZnO:Ni薄膜具有较好的可见光透明特性,拟合发现薄膜的光学带隙随Ni掺杂量的增加由3.272 eV线性降低到3.253 eV.未掺杂薄膜在550 nm处呈现出一个绿色发光峰,掺入Ni杂质后薄膜主要表现了以430 nm为中心的蓝色发光,分析认为它们分别源于薄膜中O空位和Zn填隙缺陷发光. 关键词： ZnO:Ni薄膜 结构特性 光学带隙 光致发光     

氮分压对氮化铜薄膜结构及光学带隙的影响

在不同的氮分压r(r=N₂/［N₂+Ar］)和射频功率P下，使用反应射频磁控溅射法，在玻璃基片上制备了氮化铜薄膜样品.用台阶仪测得了薄膜的厚度，用原子力显微镜、X射线衍射仪、紫外-可见光谱仪对薄膜的表面形貌、结构及光学性质进行了表征分析.结果表明，薄膜的沉积速率随P和r的增加而增大.薄膜表面致密均匀，晶粒尺寸为30nm左右.随着r的增加，薄膜颗粒增大，且薄膜由(111)晶面转向(100)晶面择优生长.薄膜的光学带隙E_g在1.47—1.82eV之间，随r的增加而增大. 关键词： 氮化铜薄膜 反应射频磁控溅射 晶体结构 光学带隙     

溅射制备Ge,Nb共掺杂窄光学带隙和低电阻率的TiO2薄膜

采用射频磁控溅射技术制备了Ge,Nb共掺杂的锐钛矿结构TiO₂薄膜,详细探讨了薄膜的结构、电阻率及光学带隙等性质随Ge,Nb掺杂量、溅射功率和热处理温度等参数的变化,发现Ge,Nb共掺杂可以同时调节TiO₂薄膜的光学带隙和电阻率.体积分数约为6%Nb和20%Ge的共掺杂TiO₂薄膜电阻率由10⁴Ω/cm减小至10^-1Ω/cm,光学带隙由3.2 eV减小至1.9 eV.退火后掺杂TiO₂薄膜不仅显示更低的电阻率,还表现出更强的可见-红外光吸收.结果表明,改变Ge,Nb的掺杂量和退火条件能够制备出电阻率和带隙都可调的TiO₂薄膜.     

钽掺杂二氧化钛薄膜的光电性能研究

采用脉冲激光沉积法 (PLD), 以石英玻璃为衬底制备了钽掺杂TiO₂薄膜并研究了薄膜样品的光电性质. 沉积氧气分气压从0.3 Pa变化到0.7 Pa时薄膜样品的帯隙变化范围是3.26 eV到3.49 eV. 通过测量电阻率随温度的变化关系确定了薄膜内部的主要导电机理. 在150 K到210 K温度范围内, 热激发导电机理是主要的导电机理; 而在10 K到150 K范围内; 电导率随温度的变化复合Mott的多级变程跳跃模型 (VRH); 在210 K到300 K范围内, 电阻率和exp(b/T)^1/2呈正比关系. 关键词： 2')" href="#">Ta掺杂TiO₂ 脉冲激光沉积法 薄膜 导电机理     

In掺杂ZnO薄膜的制备及其白光发射机理

采用溶胶-凝胶法在Si衬底上制备了本征ZnO薄膜和In:(Zn+In)分别为5%,8%,10%的ZnO薄膜,对薄膜的晶相结构和光电性质进行了表征并在CIE-XYZ表色系统中计算了不同样品的色品坐标.结果表明:In掺入后ZnO薄膜的择优生长方向由(002)面变为(101)面且面间距变小,当In掺杂量为5%时,In原子完全替代Zn原子;薄膜的电阻率随In含量的增加出现先抑后扬的趋势;随着In的掺入光谱的紫外发射峰红移,并在670 nm左右出现一个新的峰值;In:(Zn+In)为5%样品具有白光发射特性.从第一 关键词： In掺杂ZnO薄膜 溶胶-凝胶 色品坐标 白光发射     

紫外波段高透过率铜铟掺杂SnO2薄膜的研究

采用反应蒸发的方法,在玻璃、Corning7059玻璃及石英玻璃衬底上制备了SnO₂:(Cu,In)透明导电薄膜,对薄膜的各种元素的含量做了分析, 给出了各种元素在膜中的分布情况;测量了薄膜的透过率,结果显示个别样品对紫外线有较高透过率,退火过程对透过率有影响.测量了电阻率与温度的关系,同时解释了样品的阻-温特性.对材料的光学带隙与吸收系数的关系做了讨论,给出了用透过率曲线确定光学带隙的简易方法.讨论了扩展态迁移率与迁移率边和费米能级之间的关系.结果显示,用铜、铟掺杂的氧化锡透明导电 关键词： 金属氧化物薄膜 电阻率 光电特性     

纳米Cu3N薄膜的制备与性能

采用柱状靶多弧直流磁控溅射法，100℃基底温度下在玻璃衬底上制备了纳米氮化铜(Cu3₃N)薄膜.用x射线衍射研究了不同氮气分压对Cu3₃N薄膜晶体结构 及晶粒尺寸的影响.结果显 示薄膜由Cu3₃N和Cu的纳米微晶复合而成，其中Cu3₃N纳米微晶具有 立方反ReO3₃结构.通 过原子力显微镜对薄膜表征显示，膜表面比较光滑，具有较低的粗糙度.x射线光电子能谱对 薄膜表面的成分分析表明，Cu3 _{关键词： 氮化铜薄膜 多弧直流磁控溅射 3}结构')" href="#">立方反ReO3₃结构     

非化学计量比靶材溅射制备Cu-Al-O薄膜的光学电学性质研究

考虑到铜铝溅射速率的差别,使用铜铝比例为0.9 ∶1的多晶CuAlO₂靶材,用射频磁控溅射法制备Cu-Al-O薄膜.研究不同衬底温度对薄膜光学电学性能的影响.在衬底温度500 ℃附近,薄膜在可见光范围内具有很好的透光性,达到70%,计算拟合得到直接帯隙为3.52 eV,与CuAlO₂相的理论值符合较好.在室温附近,薄膜导电符合半导体热激活机理,在衬底温度为500 ℃附近薄膜电导率达到2.48×10^-3 S·cm^-1. 关键词： Cu-Al-O 衬底温度 透过率 电导率     

立方氮化硼薄膜的光学带隙

用射频溅射法在p型Si(100)衬底上沉积立方氮化硼(c-BN)薄膜,薄膜的成分由傅里叶变换红外谱标识,用紫外-可见分光光度计测量了c-BN薄膜的反射光谱,利用K-K(Kramers-Kroning)关系从反射谱计算出c-BN薄膜的光吸收系数,进而确定c-BN薄膜的光学带隙.对于立方相含量为55.4%的c-BN薄膜,光学带隙为5.38eV. 关键词： 立方氮化硼薄膜 光学带隙 K-K关系     

Mg掺杂量对Zn_(1-x)Mg_xO缓冲层及其Cu(In,Ga)Se_2太阳电池性能的影响

采用低成本溶胶凝胶旋涂法制备了不同Mg含量的Zn_(1-x)Mg_xO薄膜,用其代替传统化学水浴法制备的CdS作为铜铟镓硒(Cu(In,Ga)Se_2,CIGS)薄膜太阳电池的缓冲层材料.用X射线衍射仪、原子力显微镜、紫外可见吸收光谱和X射线光电子能谱仪等研究了Mg掺杂量对Zn_(1-x)Mg_xO薄膜的结构、形貌、光学性能及Zn_(1-x)Mg_xO/CIGS异质结之间能带排列的影响.结果表明:所制备的Zn_(1-x)Mg_xO薄膜均为非晶结构;随着Mg掺入量的增加,Zn_(1-x)Mg_xO薄膜的表面形貌由条纹状变为六方形纳米颗粒,表面粗糙度由23.53nm减小到1.14nm;光学带隙值由3.55eV增大到3.62eV;Zn_(1-x)Mg_xO/CIGS之间的导带偏移值由+0.68eV减小到-0.33eV,导带排列由"尖峰状"变为"悬崖状";当配制的溶液中Mg源和Zn源的摩尔比为0.1时,所制备的Zn0.82Mg0.18O/CIGS之间的导带偏移值为+0.22eV,电池效率最高,达5.83%.     

The effect of hydrogen on copper nitride thin films deposited by magnetron sputtering

Copper nitride thin films were deposited on Si (1 0 0) wafers by reactive magnetron sputtering at various H₂/N₂ ratios. X-ray diffraction measurements show that the films are composed of Cu₃N crystallites with anti-ReO₃ structure and exhibit preferred orientation of [1 0 0] direction. Although the relative composition of the films has obviously changes with the H₂/N₂ ratios, the orientations of the films keep almost no changes. However, the grain size, lattice parameter and composition of the films are strongly dependent on the H₂/N₂ ratios. The copper nitride films prepared at 10% H₂/N₂ ratios show poor stability and large weight gain compared to the copper nitride films prepared at 0% H₂/N₂ ratios.     

氮化物抛物量子阱中类氢杂质态能量

采用变分方法研究氮化物抛物量子阱(GaN/Al_xGa_1-xN)材料中类氢杂质态的能级,给出基态能量、第一激发态能量、结合能和跃迁能量等物理量随抛物量子阱宽度变化的函数关系.研究结果表明,基态能量、第一激发态能量、基态结合能和1s→2p±跃迁能量随着阱宽L的增大而减小,最后接近于GaN中3D值.GaN/Al_0.3Ga_0.7N抛物量子阱对杂质态的束缚程度比GaAs/Al_0.3Ga_0.7As抛物量子阱强,因此,在GaN/Al_0.3-Ga_0.7N抛物量子阱中束缚于杂质中心处的电子比在GaAs/Al_0.3Ga_0.7As抛物量子阱中束缚于杂质中心处的电子稳定.     

Growth, structural, and magnetic properties of iron nitride thin films deposited by dc magnetron sputtering

FeN thin films were deposited on glass substrates by dc magnetron sputtering at different Ar/N₂ discharges. The composition, structure and the surface morphology of the films were characterized using X-ray photoelectron spectroscopy (XPS), X-ray diffraction (XRD), and atomic force microscopy (AFM). Films deposited at different nitrogen pressures exhibited different structures with different nitrogen contents, and the surface roughness depended on the mechanism of the film growth. Saturation magnetization and coercivity of all films were determined using superconducting quantum interference device, which showed that if N₂/(Ar+N₂) flow ratio was equal to or larger than 30% the nonmagnetic single-phase γ″-FeN appeared. If N₂/(Ar+N₂) flow ratio was less than 10%, the films consisted of the mixed phases of FeN_0.056 and γ′-Fe₁₆N₂, whose saturation magnetizations were larger than that of -Fe. If N₂/(Ar+N₂) flow ratio was 10%, the phases of γ′-Fe₄N and -Fe₃N appeared, whose saturation magnetizations were lower than that of -Fe.     

氮化硅薄膜中硅纳米颗粒的形成机制研究

采用等离子体增强化学气相沉积技术,以SiH₄作为硅源, NH₃和N₂共同作为氮源,在单晶硅衬底上制备了不同的氮化硅薄膜. X射线衍射分析薄膜晶体结构,通过计算晶格尺寸大小证明了纳米硅颗粒的存在. 傅里叶变换红外光谱分析了薄膜中的键合作用的变化并结合化学反应过程对氮化硅薄膜中纳米硅颗粒的形成机制进行了研究,发现Si—Si键作为硅纳米颗粒的初始位置, 当反应朝着生成Si—Si的方向进行时,可以促进氮化硅薄膜中硅纳米颗粒的形成. X射线衍射分析和光致发光实验结果表明Si—Si键浓度增大时, 所形成的纳米硅颗粒的尺寸和浓度都随之增大.     

氮化铌纳米线光学特性

氮化铌(NbN)纳米线是超导纳米线单光子探测器(SNSPD)常用的光敏材料,其光学性质是影响SNSPD性能的关键因素.本文结合实验数据和仿真结果,系统研究了多种NbN超导纳米线探测器器件结构的光学特性,表征了以下四种器件结构下的反射光谱以及透射光谱:1)双面热氧化硅衬底背面对光结构;2)双面SiN硅衬底背面对光结构;3)硅衬底上以金层+SiN缓冲层为反射镜的正面对光结构;4)以分布式布拉格反射镜(DBR)为衬底的正面对光结构.并在上述四种器件结构基础上,生长了不同厚度的NbN薄膜,观察不同厚度NbN薄膜的吸收效率.经分析,发现在不同器件结构下的最佳NbN厚度与光吸收率的关系如下:双面热氧化硅衬底上的NbN层在1606 nm处最大吸收率为91.7%,其余结构在最佳NbN厚度条件下吸收率都能达到99%以上.其中双面SiN的硅衬底结构中最大吸收率为99.3%, Au+SiN为99.8%, DBR为99.9%.最后,将DBR器件实测结果与仿真结果进行了差异性分析.这些结果对高效率SNSPD设计与研制具有指导意义.     

(K3N)n(n=1,…,5)团簇结构与性质的密度泛函理论研究

利用密度泛函理论B3LYP方法,在6-311G*水平上对碱金属氮化物(K₃N)_n(n=1,…,5)团簇各种可能构型进行几何结构优化,预测各团簇的最稳定结构,并对其成键特性、电荷分布、振动特性及稳定性进行分析研究.结果表明,随着n的增大,(K₃N)_n(n=1,…,5)团簇的最稳定结构逐渐由平面结构向空间立体结构转变,(K₃N)₄、(K₃N)₅团簇为类似晶体的层状结构;团簇中N原子的配位数以5、6较多见;团簇中N原子的平均自然电荷为-1.608e,K原子的平均自然电荷为+0.550e,K-N键为较强的离子键;(K₃N)₄团簇有相对较高的动力学稳定性.     

Rapid thermal nitridation of thin chromium films

Thin Cr films were nitrided during rapid thermal annealing for 3 min in NH₃ between 500 and 850°C. Nitridation begins at 500°C and occurs in a layer-by-layer fashion, first forming Cr₂N then CrN. At 550°C, Cr₂N begins to nitride to CrN despite the existence of unreacted Cr, such that a CrN/Cr₂N/Cr structure exists. At 650°C, no unreacted Cr remains and the layer consists of CrN on Cr₂N; this configuration remains at 700°C although CrN grew at the expense of Cr₂N. At 750°C, the reaction is complete, forming CrN. Oxygen accumulates in front of the growing nitrides until the temperature is high enough to allow redistribution. This occurs at lower temperatures in Cr₂N than in CrN, which may be correlated to the enhanced oxidation resistance of CrN. Phase identification was performed by X-ray diffraction, composition determination by Rutherford backscattering spectrometry, and elemental profiling by secondary ion mass spectrometry. Ion beam resonances of the forms ¹⁶O(,)¹⁶O and ¹⁴N(,)¹⁴N provided additional elemental profiling. Vickers microhardness was measured and was observed to increase sharply once a surface nitride had formed, then remained nearly constant upon further annealing.     

First-principles investigation of the valley and electrical properties of carbon-doped α-graphyne-like BN sheet

Based on ab initio density functional theory calculations, we demonstrate that two carbon-doped boron nitride analog of α-graphyne structures, B_3C_2N_3 and BC_6 N monolayers, are two-dimensional direct wide band gap semiconductors, and there are two inequivalent valleys in the vicinities of the vertices of their hexagonal Brillouin zones. Besides, B_3C_2N_3 and BC_6 N monolayers exhibit relatively high carrier mobilities, and their direct band gap feature is robust against the biaxial strain. More importantly, the energetically most favorable B_3C_2N_3 and BC_6 N bilayers also have direct wide band gaps, and valley polarization could be achieved by optical helicity. Finally, we show that BC_6 N monolayer might have high efficiency in photo-splitting reactions of water, and a vertical van der Waals heterostructure with a type-II energy band alignment could be designed using B_3C_2N_3 and BC_6 N monolayers. All the above-mentioned characteristics make B_3C_2N_3 and BC_6 N monolayers, bilayers, and their heterostructures recommendable candidates for applications in valleytronic devices,metal-free photocatalysts, and photovoltaic cells.     

Growth of AlN on clean and oxidised polycrystalline iron: an Auger study

The growth of aluminium nitride (AlN) thin films on clean and oxidised polycrystalline iron was studied by Auger electron spectroscopy. The films of AlN were deposited by reactive RF sputtering (argon + nitrogen atmosphere). On clean iron, a modelisation of the Auger peak-to-peak intensities evidences a Stranski-Krastanov growth mode (one layer followed by island formation) with an interfacial layer made of iron nitride covered by the AlN. Results on oxidised iron suggested the growth of a two-phase film with stoichiometry gradient of the (AlN)_x(Al₂O₃)_1−x form, x increasing with the film thickness. Grains of AlN in the layer were shown to favour the diffusion of oxygen from the substrate to the film until thicknesses of about 80 monolayers are reached. The presence of grains of both phases supports the hypothesis of an island growth mode for this interface.     

PECVD a-SiNx:H薄膜中的氢分布

用红外光谱、质子核磁共振谱对以SiH₄/NH₃/N₂混合气体为源、用等离子体增强化学气相淀积法淀积的非晶氢化氮化硅(a-SiNx:H)薄膜进行了分析,结果表明膜中H以Si-H和N-H形式存在,均呈集聚和疏散两种分布状态,衬底温度影响氢的总量和分布均匀性,射频功率显著影响[N-H]/[Si-H],退火后氢仍呈集聚和疏散两种分布.