Mn掺杂对ZnO薄膜结构和光学性质的影响

利用脉冲激光淀积的方法在Si衬底上生长出了c轴高度取向的ZnO和Zn0.9Mn（0.1）O薄膜.光致发光结果显示了Mn的掺杂引起了薄膜的带边发射蓝移,强度减弱,紫光发射几乎消失,但绿光发射增强.利用X射线衍射,X射线吸收精细结构和X射线光电子能谱等实验技术对Mn掺杂的ZnO薄膜的结构及其对光学性质影响进行了研究.结果表明：Mn掺入到ZnO薄膜中形成了Zn0.9Mn0.1O合金薄膜,Mn以＋2价的价态存在,这就导致了掺Mn以后的薄膜带隙变大,在发光谱中表现为带边发射的蓝移.同时由于掺入的Mn与薄膜中的填隙Zn反应,导致薄膜的结晶性变差,薄膜中的填隙Zn减少,O空位增多,引起带边发射和紫光发射减弱,绿光发射增强.     

ZnO∶Li压电薄膜制备及其性能研究

ZnO薄膜的高阻特性在压电方面的应用极为重要.采用sol-gel法在Pt/Ti/SiO2/Si衬底上制备了c轴择优取向优良、电阻率高和化学计量比好的掺Li＋（Li/Zn摩尔比分别为0、0.05、0.10、0.15、0.20）ZnO压电薄膜.研究了退火温度、掺杂浓度对ZnO薄膜晶体质量和电学特性的影响.XRD结果表明,ZnO薄膜的c轴择优取向度受退火温度和掺杂浓度的强烈影响;I-V测试表明,掺Li^＋后薄膜的电阻率显著提高,当Li＋掺杂浓度为0.10（Li/Zn摩尔比）、退火温度为600℃时其电阻率达109Ω@cm;XPS分析结果表明,Li＋掺杂对ZnO薄膜中O1s和ZnL3M45M45的结合能以及Zn/O比都有一定的影响,掺杂后化学计量比更好.     

质子辐照对Yb掺杂ZnO稀磁半导体薄膜缺陷与磁性的影响

采用电感耦合等离子体增强物理气相沉积法制备了Yb掺杂ZnO薄膜, 并采用不同剂量质子对薄膜进行了辐照实验, 重点采用X射线衍射、光电子能谱、正电子湮灭图谱和磁测量系统对Zn_0.985Yb_0.015O薄膜的缺陷和磁性能进行了研究。磁性测试结果表明: Zn_0.985Yb_0.015O薄膜经质子辐照后其饱和磁化强度随辐照剂量的增加逐渐增大, 当辐照剂量为6 × 10¹⁵ ions/cm²时, 其饱和磁化强度达到最大, 随着辐照剂量的进一步增加, 其饱和磁化强度反而变小。正电子湮灭图谱结果显示薄膜中主要存在锌空位相关的缺陷, 并且锌空位相关的缺陷随辐照剂量的变化与饱和磁化强度随辐照剂量的变化相一致。本研究从实验上揭示了在含有各种缺陷的Yb掺杂ZnO薄膜中, 锌空位缺陷是影响质子辐照Zn_0.985Yb_0.015O薄膜磁性的主要原因。     

空位氧化锌第一性原理平面波赝势方法研究

利用密度泛函理论平面波赝势法,结合广义梯度近似构建了纯净ZnO和空位ZnO的超晶胞模型,利用第一性原理进行计算.结果表明,纯净ZnO中O原子或者Zn原子的减少都会使ZnO的禁带宽度增大,O空位是施主缺陷,Zn空位是受主缺陷.O原子的减少将使Zn 3d电子态不再发生能级分裂,同时氧空位的增多将导致ZnO电导率下降.     

Mn双掺间距对ZnO磁光性能的影响

采用自旋密度泛函理论(DFT)下的广义梯度近似(GGA)平面波超软赝势法构建了含氧空位以及不含氧空位的Mn双掺ZnO超胞模型,分析了电子自旋极化处理下两个磁性Mn离子之间的距离变化(分为沿c轴和沿垂直c轴方向变化)对ZnO的结构稳定性、磁性以及吸收光谱的影响。随着磁性离子距离逐渐增大,无氧空位掺杂体系ZnO超胞的形成能沿着c轴和垂直c轴都逐渐减小,而含氧空位掺杂体系ZnO超胞的形成能沿垂直c轴方向逐渐减小,沿c轴方向逐渐增大;含氧空位和不含氧空位ZnO体系的反铁磁性随着Mn-Mn间距增大而减弱,沿着c轴方向减弱更加明显,而且氧空位促进体系的反铁磁性减弱;不含氧空位组态沿c轴方向吸收光谱发生了红移现象,而沿垂直c轴方向吸收光谱发生了蓝移现象;但是含氧空位组态沿c轴和沿垂直c轴方向吸收光谱都发生了红移。     

纳米ZnO薄膜制备及液态源掺杂

用真空蒸发法在玻璃和单晶硅片 (10 0 )上制备Zn薄膜 ,然后对Zn薄膜进行氧化、热处理获得纳米ZnO薄膜。对在硅片上制备的Zn薄膜一次性进行高温掺杂、氧化获得纳米ZnO∶P和ZnO∶B薄膜。研究不同氧化、掺杂温度和时间对薄膜结构、电学性能的影响。结果表明 :氧化温度和时间对ZnO薄膜结构影响较大 ,液态源掺P可明显改善纳米ZnO薄膜的导电性能、结构特性和化学组分     

热氧化ZnS∶Ga制备ZnO∶Ga薄膜及其光致发光性能

利用化学浴沉积法制备了不同Ga掺杂量的ZnS(ZnS∶Ga)薄膜,并采用热氧化法生长了Ga掺杂ZnO(ZnO∶Ga)薄膜,研究了ZnO∶Ga薄膜的表面形貌、成分及光致发光性能。结果表明:Ga的掺入改变了ZnO薄膜的微观结构、化学计量比、氧空位的相对含量,进而影响了薄膜的光致发光性能。随着Ga掺杂量增加,ZnO薄膜的致密度提高,颗粒尺寸减小;同时改善了ZnO的化学计量比,氧空位相对含量随之减少;ZnO薄膜的紫外光与可见光强度比增大。     

钕掺杂ZnO薄膜的制备及抗凝血性能研究

采用射频磁控溅射方法在硅(100)衬底上制备了不同含量元素钕(Nd)掺杂的氧化锌薄膜.XRD分析表明,所有ZnO薄膜都具有c轴择优取向.随着Nd掺杂量的增加,(002)衍射峰的强度减弱,颗粒的尺寸变小.紫外-可见光谱分析表明,所有薄膜在可见光区的透过率超过85%,随着Nd掺杂量的增加,光学带隙从3.30 eV增加到3.40 eV.用XPS对薄膜的表面化学态进行表征,Nd元素在ZnO薄膜表面以Nd3+离子态存在.用接触角测试薄膜表面的浸润性,并计算其表面能.用血小板粘附实验研究不同含量Nd掺杂ZnO薄膜的血液相容性,其结果表明稀土钕掺杂后血小板的粘附数量和形变都较少,稀土掺杂和疏水性的提高是改善氧化锌薄膜抗凝血性能的主要原因.     

纳米ZnO薄膜掺磷、硼的电学性能研究

用扫描俄歇探针研究了掺杂磷、硼对纳米ZnO薄膜电学性能的影响。结果表明，ZnO薄膜掺入磷或硼后，可以显著降低薄膜电阻；改变扩散温度可以改变磷、硼浓度，从而改变Zn/O化学计量比，Zn/O化学计量比越大，薄膜电阻越小；掺磷或硼的ZnO薄层电阻最低值得的扩散温度分别为850℃和800℃。     

Mn、Co掺杂ZnO薄膜结构及发光特性研究

利用脉冲激光沉积(PLD)方法在Si(100)衬底上制备了ZnO、Zn0.8Mn0.2O、Zn0.8Co0.2O薄膜.薄膜的晶体结构和表面形貌采用X射线衍射仪和原子力显微镜测试.表明薄膜具有明显的c轴择优生长取向,薄膜表面较为平整,颗粒尺寸在纳米量级,薄膜中晶粒的生长模式为"柱状"模式.此外,Mn、Co掺入后,薄膜的X射线衍射峰有小角度偏移,这与 Mn2 、Co2 离子半径有关.PL谱显示Mn、Co掺杂ZnO薄膜的蓝、绿发光峰的位置相对纯的ZnO薄膜没有改变,还出现了紫外发光峰,其中Mn掺杂的蓝、绿光峰的强度减弱,Co掺杂的蓝光峰强度减弱,绿光峰强度增强.这是因为Mn、Co掺入改变了ZnO本征缺陷的浓度,发光峰的强度也随之而改变.     

Magnetism in dopant-free ZnO nanoplates

It is known that bulk ZnO is a nonmagnetic material. However, the electronic band structure of ZnO is severely distorted when the ZnO is in the shape of a very thin plate with its dimension along the c-axis reduced to a few nanometers while keeping the bulk scale sizes in the other two dimensions. We found that the chemically synthesized ZnO nanoplates exhibit magnetism even at room temperature. First-principles calculations show a growing asymmetry in the spin distribution within the distorted bands formed from Zn (3d) and O (2p) orbitals with the reduction of thickness of the ZnO nanoplates, which is suggested to be responsible for the observed magnetism. In contrast, reducing the dimension along the a- or b-axes of a ZnO crystal does not yield any magnetism for ZnO nanowires that grow along c-axis, suggesting that the internal electric field produced by the large {0001} polar surfaces of the nanoplates may be responsible for the distorted electronic band structures of thin ZnO nanoplates.     

Charge carrier and spin doping in ZnO thin films

Recent efforts on doping ZnO films for charge and spin functionality are reviewed, focusing on chemical doping for charge and spin device formation. Discussion includes the behavior of phosphorus as an acceptor and magnetism in transition metal-doped ZnO. Evidence for p-type behavior in phosphorus-doped (Zn,Mg)O grown by pulsed laser deposition is presented. The magnetic properties of ZnO co-doped with Mn and Sn are also discussed.     

Structures and magnetic properties of ZnO nanoislands

Using first-principles calculations, we systematically study the atomic structures and electronic properties for two dimensional triangular ZnO nanoislands that are graphite-like with monolayer and bilayer thickness. We find that the monolayer ZnO nanoisland with oxygen-terminated zigzag-edges is magnetic at its ground state, and the magnetism comes from the oxygen-edge states. The other monolayer and bilayer ZnO nanoislands with different edge structures are all nonmagnetic at their ground states. It is further revealed that for different ZnO nanoislands, their magnetic properties are quite dependent on their sizes, with larger nanoislands having larger magnetic moments.     

Phonon spectra and magnetic behaviors of hydrothermally synthesized Sm-doped ZnO nanorods

Herein one-dimensional Sm-doped ZnO nanostructures have been successfully fabricated by a simple hydrothermal method at a low temperature of 90 °C. The effect of Sm doping on the microstructure, photoluminescence and magnetism of ZnO nanorods is also investigated. FE-SEM images show that the average diameter of the Sm-doped ZnO nanorods is obviously smaller than that of ZnO nanorods. Photoluminescence spectrum of Sm-doped ZnO nanorods shows a slightly red-shifted decrease of UV emission and an enhancement of photoluminescence performance of visible emission. Raman spectrum of Sm-doped ZnO nanorods reveals that the peak intensity corresponding to the E₂ high mode decreases significantly compared with that of the pure ZnO nanorods, indicating the restraint of crystallization. Room temperature ferromagnetism is observed from magnetization curves of both ZnO and Sm-doped ZnO nanorods. The increase of the saturation magnetization induced by the Sm doping in the ZnO nanorods reveals an association with the increase of oxygen vacancies and oxygen interstitials.     

Growth of fractal patterns in ZnO films doped with Fe

ZnO films both undoped and doped with Fe were deposited on Si substrates using rf-magnetron sputtering. The results showed that fractal features were clearly exhibited in the ZnO film doped with Fe. It is proposed that the fractal aggregates were the result of cluster diffusion-limited aggregation (CDLA) of magnetic particles on the surface of the film. The fractal dimension of a main branch (D=1.47) was smaller than that expected by the CDLA model (D=1.72). In this paper the growth mechanism of the observed fractal aggregates is discussed in terms of the magnetism of FeO, nanoparticle aggregation and surface tension changes.     

影响低密度聚乙烯/氧化锌复合材料场致电导因素的研究

氧化锌(ZnO)是一种电导率具有场强依赖性的半导体材料,由其经烧结而制备的非线性电阻器件在稳压、过压保护、防雷、灭孤、消噪、补偿、消磁等方面得到了广泛的应用.以低密度聚乙烯(LDPE)和氧化锌粉末共混复合体系为研究对象,实验研究了影响LDPE/ZnO复合材料场致电导的主要因素.研究结果表明,增加ZnO的掺量、升高温度和减小压力均能提高LDPE/ZnO复合材料的非线性程度;对于按不同生产工艺制备的ZnO,其晶粒生长行为的不同导致晶粒结构的差异,从而使得含有不同制备工艺的ZnO的LDPE/ZnO复合材料的电导特性存在较大差别.     

Influences of Cd-Substitution and Intrinsic Vacancies on the Electronic Structures and Optical Properties of ZnO Nanotubes

The electronic structures and optical properties of the defect-free armchair and zigzag ZnO nanotubes (NTs) as well as ZnO NTs containing defects have been investigated using the first-principles projector augmented wave potential within density functional theory framework. Simultaneously, the relevant properties for the corresponding ZnO sheets are also exhibited for comparison. Attributing to the influence of curvature, the band gaps of the defect-free, Cd substitutional, and O deficient ZnO NTs are decreased, as compared with the corresponding sheets. Moreover, for both ZnO sheets and ZnO NTs, the band gap of the substitutional Cd case is smaller than that of the defect-free case, by contraries, O vacancy case is larger. In particular, the Zn vacancy could introduce magnetism in both ZnO sheet and ZnO NTs. Curvature-induced drifting of the conduction bands towards the Femi level allows the electronic excitations from the valence band to conduction band at ??-point through optical absorption in the visible region. The near-band-edge emission of the Cd-doped ZnO NTs shows a slight red shift, while the presence of the O vacancy contributes strongly to optical absorption in the visible region. This finding is useful for the design of new generation of materials with improved solar radiation absorption.     

Structural and magnetic properties of Mn-doped ZnO nanorod arrays grown via a simple hydrothermal reaction

High density Mn-doped ZnO nanorod arrays were vertically grown on ITO substrate via hydrothermal reaction at relatively low temperature of 95 °C. The microstructure and magnetism of the arrays have been examined. Field emission scanning electron microscopy shows that the nanorods of 100 nm diameter and 1 μm length grow along the [001] direction. X-ray photoemission spectroscopy demonstrates that Mn is successfully doped into the nanorods. Meanwhile, all the Mn-doped ZnO nanorod arrays are ferromagnetic at room temperature. It is also found that the value of the saturation magnetization (M_s) of the ZnO nanorod arrays firstly increases with increasing the Mn concentration and then decreases. The higher M_s value is 0.11emu/g, which is obtained in the 5 at.% Mn-doped ZnO nanorod arrays. The ferromagnetism comes from the ferromagnetic interaction between the Mn ions, which partly replace Zn ions.     

Robust Room-Temperature Ferromagnetism with Giant Anisotropy in Nd-Doped ZnO Nanowire Arrays

As an important class of spintronic material, ferromagnetic oxide semiconductors are characterized with both charge and spin degrees of freedom, but they often show weak magnetism and small coercivity, which limit their applications. In this work, we synthesized Nd-doped ZnO nanowire arrays which exhibit stable room temperature ferromagnetism with a large saturation magnetic moment of 4.1 μ(B)/Nd as well as a high coercivity of 780 Oe, indicating giant magnetic anisotropy. First-principles calculations reveal that the remarkable magnetic properties in Nd-doped ZnO nanowires can be ascribed to the intricate interplay between the spin moments and the Nd-derived orbital moments. Our complementary experimental and theoretical results suggest that these magnetic oxide nanowires obtained by the bottom-up synthesis are promising as nanoscale building blocks in spintronic devices.     

Rapid thermal annealing of sputter-deposited ZnO/ZnO:N/ZnO multilayered structures

Rapid thermal annealing (RTA) of sputter-deposited ZnO/ZnO:N/ZnO multilayered structures formed by a combination of radio-frequency magnetron sputtering and a microwave plasma source was investigated for the fabrication of highly-crystallized ZnO:N films. The assistance of the microwave plasma source resulted in the enhancement of nitrogen incorporation into the ZnO films and the deterioration of film crystallization. On the other hand, crystallization of the ZnO:N layer was improved by RTA with no significant effusion and diffusion of N atoms using a ZnO/ZnO:N/ZnO multilayered structure. The role of the front and bottom ZnO layers during RTA of ZnO/ZnO:N/ZnO multilayered structures is demonstrated.