Ti/HfO2/Pt阻变存储单元中的氧空位聚簇分布

为了研究阻变存储器导电细丝的形成位置和分布规律, 使用X射线光电子能谱研究了Ti/HfO₂/Pt阻变存储器件单元中Hf 4f的空间分布, 得到了阻变层的微结构信息. 通过I-V测试, 得到该器件单元具有典型的阻变特性; 通过针对Hf 4f的不同深度测试, 发现处于低阻态时, 随着深度的增加, Hf⁴⁺化学组分单调地减小; 而处于高阻态和未施加电压前, 该组分呈现波动分布; 通过Hf⁴⁺在高阻态和低阻态下组分含量以及电子能损失谱分析, 得到高阻态下Hf⁴⁺组分的平均含量要高于低阻态; 另外, 高阻态和低阻态下的O 1s谱随深度的演变也验证了Hf⁴⁺的变化规律. 根据实验结果, 提出了局域分布的氧空位聚簇可能是造成这一现象的原因. 空位簇间的链接和断裂决定了导电细丝的形成和消失. 由于导电细丝容易在氧空位缺陷聚簇的地方首先形成, 这一研究为导电细丝的发生位置提供了参考.     

运用第一性原理研究氧化锌电阻阀片中氧空位与掺杂条件下ZnO晶体电学性质

为了比较Nb_2O_5、MnO_2、MgO三种添加剂对氧化锌电阻阀片电学性能影响,在微观层面模拟Nb、Mn、Mg三种元素分别掺杂ZnO完整超晶胞和带有氧空位缺陷的ZnO超晶胞,并运用第一性原理分析掺杂晶胞的特性.本文计算了晶体结构、掺杂形成能、氧空位形成能、能带结构、态密度、载流子迁移率、电导率等.结果表明,掺入Nb原子的掺杂体系晶格体积最大,Mg掺杂体系的形成能最大,稳定性最弱,Nb掺杂氧空位形成能最低,更容易引入氧空位.Nb掺杂的ZnO超晶胞禁带宽度最小,氧空位缺陷增大掺杂晶体的禁带宽度.在相同掺杂浓度和同等条件下,Mn掺杂的晶体电导率最高.     

Sm~(3+),Sr~(2+)共掺杂对CeO_2基电解质性能影响的密度泛函理论+U计算

Sm~(3+),Sr~(2+)共掺杂CeO_2的离子电导率被证实可高达Sm~(3+)掺杂CeO_2离子电导率的近两倍,然而,共掺杂对CeO_2电导率的作用机理尚不明确.本文利用第一性原理计算的密度泛函理论+U方法,对Sm~(3+)和Sr~(2+)共掺杂的CeO_2进行了系统的研究,对比Sm~(3+)或Sr~(2+)单掺杂的CeO_2体系,计算并分析了共掺杂体系的电子态密度、能带结构、氧空位形成能以及氧空位迁移能等微观属性.计算结果表明,Sm~(3+),Sr~(2+)的共掺杂对CeO_2基电解质性能的提高具有协同效应,二者的共掺杂不仅能协同抑制CeO_2体系的电子电导率,还能在单掺杂CeO_2的基础上进一步降低氧空位形成能,Sm~(3+)的存在还有助于降低Sr~(2+)对氧空位的俘获作用,而Sr~(2+)的加入则能够在Sm~(3+)掺杂CeO_2的基础上进一步降低最低氧空位迁移能,爬坡式弹性能带方法计算表明共掺杂体系的氧空位迁移能最低可达0.314/0.295 eV,低于Sm~(3+)掺杂CeO_2的最低氧空位迁移能.研究揭示了Sm~(3+),Sr~(2+)共掺杂对CeO_2电导率的协同作用机理,对进一步研发其他高性能的共掺杂电解质材料具有重要的指导意义.     

Ni/HfO_2/Pt阻变单元特性与机理的研究

研究了Ni/HfO2(10 nm)/Pt存储单元的阻变特性和机理.该器件具有forming-free的性质,还表现出与以往HfO2(3 nm)基器件不同的复杂的非极性阻变特性,并且具有较大的存储窗口值(105).存储单元的低阻态阻值不随单元面积改变,符合导电细丝阻变机理的特征.采用X射线光电子能谱仪分析器件处于低阻态时的阻变层HfO2薄膜的化学组分以及元素的化学态,结果表明,Ni/HfO2/Pt阻变存储器件处于低阻态时的导电细丝是由金属Ni导电细丝和氧空位导电细丝共同形成的.     

Er3+掺杂对ZnO/GaN发光二极管电致发光性能的调控

采用水热法制备了Er~(3+)掺杂的ZnO纳米棒阵列,通过场发射扫描电镜、X单晶衍射谱仪、透射电镜、微区显微光谱仪等对其形貌结构和发光性能进行了表征。结果表明,掺杂前后ZnO纳米棒的形貌及晶型结构未发生改变,Er~(3+)被均匀地掺杂至ZnO纳米棒中,并未发现形成Er_2O_3;掺杂Er~(3+)后样品的光致发光光谱显示400 nm左右蓝光部分占比先提高后减少,其可见光占比减少归因于Er~(3+)填补了一部分锌空位缺陷,同时抑制了一部分氧空位缺陷。结合荧光寿命光谱分析也可发现其辐射发光部分寿命延长,表明荧光辐射效率提高。最终选取掺杂浓度为30%的单根ZnO纳米棒制备ZnO/GaN异质结发光二极管,与未掺杂Er~(3+)的样品相比,其电致发光强度提高了5倍。本研究可为ZnO基电致发光器件的性能改善提供一种简便可行的方法。     

Er^(3+)掺杂对ZnO/GaN发光二极管电致发光性能的调控EI北大核心CSCD

采用水热法制备了Er^(3+)掺杂的ZnO纳米棒阵列,通过场发射扫描电镜、X单晶衍射谱仪、透射电镜、微区显微光谱仪等对其形貌结构和发光性能进行了表征。结果表明,掺杂前后ZnO纳米棒的形貌及晶型结构未发生改变,Er^(3+)被均匀地掺杂至ZnO纳米棒中,并未发现形成Er_(2)O_(3);掺杂Er^(3+)后样品的光致发光光谱显示400 nm左右蓝光部分占比先提高后减少,其可见光占比减少归因于Er^(3+)填补了一部分锌空位缺陷,同时抑制了一部分氧空位缺陷。结合荧光寿命光谱分析也可发现其辐射发光部分寿命延长,表明荧光辐射效率提高。最终选取掺杂浓度为30%的单根ZnO纳米棒制备ZnO/GaN异质结发光二极管,与未掺杂Er^(3+)的样品相比,其电致发光强度提高了5倍。本研究可为ZnO基电致发光器件的性能改善提供一种简便可行的方法。     

Au/SrTiO3/Au界面电阻翻转效应的低频噪声分析

本文研究了Au/SrTiO₃/Au三明治结构中的双极电阻翻转效应, 观察到高、低阻态的电阻弛豫现象. 低频噪声测量表明高、低阻态的电阻涨落表现出1/f行为. 对比试验表明, 高阻态的低频噪声来源于反向偏置肖特基势垒和氧空位的迁移, 强度较大, 低阻态的噪声则源于类欧姆接触底电极区域的氧空位迁移导致的载流子涨落, 强度较低. 同时, 界面上氧空位浓度的弛豫导致了高、低阻态的弛豫过程. 关键词： 电阻翻转效应 低频噪声 氧空位     

Ga掺杂对ZnO纳米结构可见光发射的抑制效应

采用碳热还原反应和原位掺杂的方法制备了不同Ga掺杂浓度的ZnO纳米结构. X射线衍射 显示掺杂纳米结构中为单一的氧化锌纤锌矿结构. 扫描电子显微镜 观测发现随掺杂浓度的增大, 纳米结构的形貌逐渐从纳米六棱柱变为纳米锥.光致发光 和X射线光电子能谱 测量分别发现随着掺杂浓度升高, 纳米结构的可见发光强度和其中空位 氧峰相对强度逐渐减小直至消失, 两者存在很强的相关性. 上述结果为ZnO可见光发射的氧空位机理提供了新的实验证据. 对Ga掺杂抑制纳米结构中氧空位的原因进行了分析.     

低能质子辐照对ZnO白漆光学性能退化的影响

 通过光致荧光光谱解谱和X射线光电子能谱（XPS）分析,研究了ZnO白漆经受能量低于200 keV低能质子辐照过程中氧空位缺陷的形成与演化过程。XPS解析表明质子辐照后晶格氧减少,光致荧光光谱解析表明锌空位减少,说明ZnO白漆中氧空位数量增加,且双电离氧空位能够捕获价带中的电子转变为单电离氧空位,使单电离氧空位逐渐成为辐照产生的主要缺陷。质子辐照使ZnO白漆中氧空位数量增加,而氧空位易捕获电子形成色心,从而导致光学性能下降。     

变组分Al对HfO_2阻变特性影响:第一性原理研究

为了改善HfO_2的阻变特性,提高氧空位(VO)导电细丝形成的一致性和均匀性,采用基于密度泛函理论的第一性原理计算方法研究了掺杂Al的HfO_2阻变材料的微观特性.结果表明,间隙Al (Int-Al)更适合掺入到HfO_2中,并且Int-Al与VO相对位置越近,阻变材料趋于稳定的收敛速度越快,形成能越小.不同IntAl浓度对含有VO缺陷的HfO_2超胞的影响结果显示,当掺杂Int-Al浓度为4.04%时,分波电荷态密度图能够形成相对较好的电荷通道,最大等势面和临界等势面值均为最高,有利于改善HfO_2阻变材料中导电细丝形成的一致性和均匀性;形成能计算结果显示,当Int-Al浓度低于4.04%时形成能变化缓慢,当高于4.04%时则异常增大,表明缺陷体系随Int-Al浓度增大越来越难以形成;进一步研究掺杂Int-Al浓度为4.04%时晶格结构的变化,结果显示缺陷形成能显著降低,有利于形成完美的导电通道.该研究为改善基于HfO_2阻变存储材料的性能有一定的借鉴意义.     

Effects of different dopants on switching behavior of HfO_2-based resistive random access memory

In this study the effects of doping atoms(Al, Cu, and N) with different electro-negativities and ionic radii on resistive switching of HfO2-based resistive random access memory(RRAM) are systematically investigated. The results show that forming voltages and set voltages of Al/Cu-doped devices are reduced. Among all devices, Cu-doped device shows the narrowest device-to-device distributions of set voltage and low resistance. The effects of different dopants on switching behavior are explained with deferent types of CFs formed in HfO2 depending on dopants: oxygen vacancy(Vo) filaments for Al-doped HfO2 devices, hybrid filaments composed of oxygen vacancies and Cu atoms for Cu-doped HfO2 devices,and nitrogen/oxygen vacancy filaments for N-doped HfO2 devices. The results suggest that a metal dopant with a larger electro-negativity than host metal atom offers the best comprehensive performance.     

氧分压对Ni/HfO_x/TiN阻变存储单元阻变特性的影响

采用射频磁控溅射的方法,基于不同氧分压制备的氧化铪构建了Ni/HfO_x/TiN结构阻变存储单元.研究发现,随着氧分压的增加,薄膜表面粗糙度略有降低;另一方面,阻变单元功耗降低,循环耐受性能可达10~3次,且转变电压分布的一致性得到改善.结合电流-电压曲线线性拟合结果及外加温度测试探究了器件的转变机理,得出在低阻态的传导机理为欧姆传导机理,在高阻态的传导机理为肖特基发射机理,并根据氧空位导电细丝理论,对高低阻态的阻变机理进行了详细的理论分析.     

Influence of Dopants in ZnO Films on Defects

The influence of dopants in ZnO films on defects is investigated by slow positron annihilation technique. The results show S that parameters meet S_Al>S_un>S_Ag for Al-doped ZnO films, undoped and Ag-doped ZnO films. Zinc vacancies are found in all ZnO films with different dopants. According to S parameter and the same defect type, it can be induced that the zinc vacancy concentration is the highest in the Al-doped ZnO film, and it is the least in the Ag-doped ZnO film. When Al atoms are doped in the ZnO films grown on silicon substrates, Zn vacancies increase as compared to the undoped and Ag-doped ZnO films. The dopant concentration could determine the position of Fermi level in materials, while defect formation energy of zinc vacancy strongly depends on the position of Fermi level, so its concentration varies with dopant element and dopant concentration.     

Role of point defects on conductivity, magnetism and optical properties in In2O3

In order to assess the effects of point defects including transition metal doping on its electronic structure, the self-consistent band structure of the transparent oxide In₂O₃ (in the Ia₃ structure) has been calculated with oxygen vacancies, oxygen and indium interstitial atoms and several transition metal dopants using density functional theory based first principles calculations. An oxygen vacancy alone does not act as a strong native donor but when combined with interstitial indium and (substitutional) transition metal doping, shallow donor levels close to the conduction band are formed. Spin polarized calculations show measurable magnetism in some of the transition metal doped systems while the dielectric functions indicate whether such systems remain transparent among other things.     

氧空位缺陷对PbTiO_3铁电薄膜漏电流的调控

基于非平衡格林函数及密度泛函理论第一性原理计算方法,计算了Fe, Al, V和Cu四种阳离子掺杂对氧空位缺陷引起的PbTiO_3铁电薄膜漏电流的调控.研究表明:Fe和Al离子掺杂将会增大由其中氧空位缺陷导致的铁电薄膜的漏电流,而Cu和V离子掺杂对该漏电流的大小具有明显抑制作用.这是因为Cu和V掺杂对氧空位缺陷有明显的钉扎作用.相比于半径更大的Cu离子,由于V的离子半径更小,且更接近于PbTiO_3铁电薄膜中Ti的离子半径,可以预言V离子更可能被掺杂进入薄膜,从而抑制氧空位缺陷引起的漏电流.研究结果对铁电薄膜器件的电学性能控制和优化有一定的理论指导意义.     

Optical study of D–D neutron irradiation-induced defects in Co- and Cu-doped ZnO wafers

Room-temperature photoluminescence and optical transmittance spectroscopy of Co-doped (1×10¹⁴,5×10¹⁶, and 1×10¹⁷ cm^-2) and Cu-doped (5×10¹⁶ cm^-2) ZnO wafers irradiated by D-D neutrons (fluence of 2.9×10¹⁰ cm^-2) have been investigated. After irradiation, the Co or Cu metal and oxide clusters in doped ZnO wafers are dissolved, and the würtzite structure of ZnO substrate for each sample remains unchanged and keeps in high c-axis preferential orientation. The degree of irradiation-induced crystal disorder reflected from absorption band tail parameter (E₀) is far greater for doped ZnO than undoped one. Under the same doping concentration, the Cu-doped ZnO wafer has much higher irradiation-induced disorder than the Co-doped one. Photoluminescence measurements indicate that the introduction rate of both zinc vacancy and zinc interstitial is much higher for the doped ZnO wafer with high doping level than the undoped one. In addition, both crystal lattice distortion and defect complexes are suggested to be formed in doped ZnO wafers. Consequently, the Co- or Cu-doped ZnO wafer (especially with high doping level) exhibits very low radiation hardness compared with the undoped one, and the Cu-doped ZnO wafer is much less radiation-hard than the Co-doped one.     

Doping of graphite by an alkaline-earth metal to reduce the work function

A technique for reducing the work function of a field-emission graphite cathode by doping it by an alkaline-earth metal (barium) is suggested. A model of formation of a barium monolayer on the cathode surface is proposed. Field-emission tests show that the operating voltage of the doped cathode is lower than that of the undoped one with the same emission current.     

Optical and electrical properties of undoped and (Mn, Co) co-doped ZnO nanoparticles synthesized by DC thermal plasma method

The undoped and (Mn, Co) co-doped ZnO nanopowders were synthesized through DC thermal plasma method. The pellets of this powder were annealed at 450, 550 and 650 °C for 1 h. Structural, chemical and optical properties of the samples were studied by XRD, SEM, EDX, UV–Vis and PL analysis. XRD spectra showed that all the samples were hexagonal wurtzite structure and as the annealing temperature increases the material becomes purer and more crystalline. It is seen that the optical band gap decreases when the ZnO is doped with manganese and cobalt. Photoluminescence intensity varies with doping because of the increment of oxygen vacancies. DC conductivity studies of the pellets were carried out at different temperatures (25–100 °C) and it was found that the activation energy for the electrical transport is high for (Mn, Co) co-doped ZnO than undoped ZnO.     

First principles analysis of the stability and diffusion of oxygen vacancies in metal oxides

Oxygen vacancies in metal oxides are known to determine their chemistry and physics. The properties of neutral oxygen vacancies in metal oxides of increasing complexity (MgO, CaO, alpha-Al2O3, and ZnO) have been studied using density functional theory. Vacancy formation energies, vacancy-vacancy interaction, and the barriers for vacancy migration are determined and rationalized in terms of the ionicity, the Madelung potential, and lattice relaxation. It is found that the Madelung potential controls the oxygen vacancy properties of highly ionic oxides whereas a more complex picture arises for covalent ZnO.     

Investigation of Cu Doping,Morphology and Annealing Effects on Structural and Optical Properties of ZnO:Dy Nanostructures

Dysprosium (Dy) doped ZnO nanosheets and nanorods were synthesized by hydrothermal method. Effects of Cu doping, morphology and annealing in Oxygen ambient on structural and optical properties of ZnO nanostructures were investigated using X–ray diffraction (XRD), scanning electron microscopy (SEM), diffuse reflectance spectra (DRS) and photoluminescence (PL) spectroscopy. This study recommends that both of intrinsic and extrinsic defects facilitate energy transfer (ET) from the ZnO host to Dy³⁺ ions and consequently have an effective role on producing intense Dy emissions at indirect excitation. The results also revealed that annealing process improved the crystal structure of ZnO nanorods due to decrease of surface; however decreased ET and Dy emissions because of diminishing in oxygen vacancy. In addition, as a result of increasing of surface area in nanorods compared to nanosheets, the oxygen vacancies and ET were enhanced. Moreover the results exhibited that electrical and optical properties of ZnO:Dy can be tuned by various amount of Dy concentrations and also Cu doping.