Valence band offset of ZnO/BaTiO3 heterojunction measured by X-ray photoelectron spectroscopy

X-ray photoelectron spectroscopy has been used to measure the valence band offset of the ZnO/BaTiO3 heterojunction grown by metal-organic chemical vapor deposition. The valence band offset (VBO) is determined to be 0.48 +/- 0.09 eV, and the conduction band offset (CBO) is deduced to be about 0.75 eV using the band gap of 3.1 eV for bulk BaTiO3. It indicates that a type-II band alignment forms at the interface, in which the valence and conduction bands of ZnO are concomitantly higher than those of BaTiO3. The accurate determination of VBO and CBO is important for use of semiconductor/ferroelectric heterojunction multifunctional devices.

Influence of band bending and polarization on the valence band offset measured by x-ray photoelectron spectroscopy

The influence of band bending and polarization on the valence band offset measured by x-ray photoelectron spectroscopy (XPS) is discussed, and a modification method based on a modified self-consistent calculation is proposed to eliminate the influence and thus increasing the precision of XPS. Considering the spontaneous polarization at the surfaces and interfaces and the different positions of Fermi levels at the surfaces, we compare the energy band structures of Al/Ga-polar AlN/GaN and N-polar GaN/AlN heterojunctions, and give corrections to the XPS-measured valence band offsets. Other AlN/GaN heterojunctions and the piezoelectric polarization are also introduced and discussed in this paper.

Measurement of GaN/Ge(001) Heterojunction Valence Band Offset by X-Ray Photoelectron Spectroscopy

X-ray photoelectron spectroscopy has been used to measure the valence band offset (VBO) at the GaN/Ge heterostructure interface. The VBO is directly determined to be 1.13 +/- 0.19 eV, according to the relationship between the conduction band offset Delta E-C and the valence band offset Delta E-V : Delta E-C = E-g(GaN) - E-g(Ge) - Delta E-V, and taking the room-temperature band-gaps as 3.4 and 0.67 eV for GaN and Ge, respectively. The conduction band offset is deduced to be 1.6 +/- 0.19 eV, which indicates a type-I band alignment for GaN/Ge. Accurate determination of the valence and conduction band offsets is important for the use of GaN/Ge based devices.

Valence band offset of MgO/TiO2 (rutile) heterojunction measured by X-ray photoelectron spectroscopy

The valence band offset (VBO) of MgO/TiO2 (rutile) heterojunction has been directly measured by Xray photoelectron spectroscopy. The VBO of the heterojunction is determined to be 1.6 +/- 0.3 eV and the conduction band offset (CBO) is deduced to be 3.2 +/- 0.3 eV, indicating that the heterojunction exhibits a type-I band alignment. These large values are sufficient for MgO to act as tunneling barriers in TiO2 based devices. The accurate determination of the valence and conduction band offsets is important for use of MgO as a buffer layer in TiO2 based field-effect transistors and dye-sensitized solar cells.

Study on the hydrolysis/precipitation behavior of Keggin Al-13 and Al-30 polymers in polyaluminum solutions

The hydrolysis/precipitation behaviors of Al3+, Al-13 and Al-30 under conditions typical for flocculation in water treatment were investigated by studying the particulates' size development, charge characteristics, chemical species and speciation transformation of coagulant hydrolysis precipitates. The optimal pH conditions for hydrolysis precipitates formation for AlCl3, PAC(A113) and PAC(A130) were 6.5-7.5, 8.5-9.5, and 7.5-9.5, respectively. The precipitates' formation rate increased with the increase in dosage, and the relative rates were AlCl3 >> PAC(A130) > PACA113. The precipitates' size increased when the dosage increased from 50 mu M to 200 mu M, but it decreased when the dosage increased to 800 AM. The Zeta potential of coagulant hydrolysis precipitates decreased with the increase in pH for the three coagulants. The isoelectric points of the freshly formed precipitates for AlCl3, PAC(A113) and PAC(A130) were 7.3, 9.6 and 9.2, respectively. The Zeta potentials of AlCl3 hydrolysis precipitates were lower than those of PAC(A113) and PAC(A130) when pH > 5.0. The Zeta potential of PAC(A130) hydrolysis precipitates was higher than that of PACA113 at the acidic side, but lower at the alkaline side. The dosage had no obvious effect on the Zeta potential of hydrolysis precipitates under fixed pH conditions. The increase in Zeta potential with the increase in dosage under uncontrolled pH conditions was due to the pH depression caused by coagulant addition. Al-Ferron research indicated that the hydrolysis precipitates of AlCl3 were composed of amorphous AI(OH)3 precipitates, but those of PACA113 and PACA130 were composed of aggregates of Al-13 and Al-30, respectively. Al3+ was the most un-stable species in coagulants, and its hydrolysis was remarkably influenced by solution pH. Al-13 and Al-30 species were very stable, and solution pH and aging had little effect on the chemical species of their hydrolysis products. The research method involving coagulant hydrolysis precipitates based on Al-Ferron reaction kinetics was studied in detail. The Al species classification based on complex reaction kinetic of hydrolysis precipitates and Ferron reagent was different from that measured in a conventional coagulant assay using the Al--Ferron method. The chemical composition of Al-a, Al-b and Al-c depended on coagulant and solution pH. The Al-b measured in the current case was different from Keggin Al-13, and the high Alb content in the AlCl3 hydrolysis precipitates could not used as testimony that most of the Al3+ Was converted to highly charged Al-13 species during AlCl3 coagulation.

Experimental study on K alpha X-ray emission from intense femtosecond laser-solid interactions

The characteristics of K alpha X-ray sources generated by p-polarized femtosecond laser-solid interactions are experimentally studied in the relativistic regime. By use of knife-edge image technique and a single-photon-counting X-ray CCD camera, we obtaine the source size, the spectrum and the conversion efficiency of the Ka X-ray sources. The experimental results show that the conversion efficiency of Ka photons reaches an optimum value of 7.08 x 10(-6)/sr at the laser intensity of 1.6 x 10(18) W/cm(2), which is different from the Reich's simulation results (Reich et al., 2000 Phys. Rev. Lett. 84 4846). We find that about 10% of laser energy is converted into the forward hot electrons at the laser intensity of 1.6 x 10(18) W/cm(2).

Mg-Al-Mn-RE系合金组织与性能研究

利用金属型铸造制备了Mg-5Al-0.3Mn-xRE (x = 0~4, wt%，RE = Ce, Nd, Sm, Y和(CeLa)混合稀土)系列合金，研究了铸态合金的组织和力学性能。利用轧制和挤压技术对优化出的合金进行了变形加工处理，并研究了合金加工后的组织和力学性能。 对于铸态合金，稀土元素不仅可以细化合金的晶粒，而且形成不同类型的Al-RE化合物，含Ce的合金中生成Al11Ce3相，含Nd或Sm的合金中，主要生成Al11Nd3 (Al11Sm3)相和少量的Al2Nd (Al2Sm)相，含Y的合金中生成Al2Y相。另外，添加稀土可以改变Mg17Al12相的形貌，使其变得更加细小、弥散。添加适量的稀土可以明显提高铸态合金在室温和150℃下的力学性能，Mg-5Al-0.3Mn-1.5Ce, Mg-5Al-0.3Mn-2Nd和Mg-5Al-0.3Mn-2Sm合金在各自的体系中具有最佳的综合力学性能。合金力学性能提高的主要原因是细晶强化、Al-RE化合物第二相强化以及减弱Mg17Al12相对合金高温力学性能的不利影响。 对Mg-5Al-0.3Mn-(1.0, 1.5, 2.0)Ce，Mg-5Al-0.3Mn-2Nd，Mg-5Al-0.3Mn-1.5(CeLa)和Mg-5Al-0.3Mn-3Y合金在300-400℃下进行了热轧制或挤压变形，与铸态合金相比，轧制和挤压合金具有更高的力学性能。轧制合金的室温抗拉强度为290-340 MPa，较铸态合金提高约50％，屈服强度约为210-260 MPa，较铸态合金提高约2倍。挤压态合金的抗拉强度为260-270 MPa，屈服强度为160-190MPa，伸长率为20-22％；150℃的力学性能也得到了明显改善。 结合热力学计算、合金化元素之间的电负性差、化合物相的生成焓数据以及相图计算，阐述了稀土化合物相的生成机制，稀土元素与Al元素之间的电负性差大于其与Mg之间的电负性差，且Al-RE相的生成焓远低于Mg-RE和Mg-Al相的生成焓，因此在Mg-Al合金中加入RE后，RE优先与Al形成Al-RE化合物。从晶粒细化、化合物强化相的生成和演变、变形加工处理的位错交互作用等方面讨论了合金的强化机制，认为细晶强化、第二相强化及形变强化是提高合金力学性能的主要机制。

熔盐电解法制备Al-Li合金的应用基础研究及其工艺初探

Al-Li合金是近年发展起来的新型航空材料，具有低密度、高强度的特点。目前世界上正就如何进一步提高其断裂韧性，使Al-Li合金尽早走出实验室，获得实际用进行广泛，深入的研究。熔盐电解法就是在这种情况下发展起来的。虽然此法现在尚处于研究的初级阶段，但已以其能够在较简单的设备上制备低Na高纯Al-Li合金的特点受到广泛的重视，是一种很有前途的发展方向。针对我国的技术、设备现状，在参考国外研究结果的基础上，采用熔盐电解法制备Al-Li母合金 → 应用合金的制备方法是可以尽快赶上世界发步伐的有效途径。因此，本文作为整个熔盐电解制备Al-Li合金系统研究的一部分，针对目前在此领域中很多应用基础问题，诸如：作为新的电解体系正在探索中的LiCl-KCl-LiF三元相图，Li在液体Al阴极中的扩散系数，利用熔盐电解法制备低Na高纯Al-Li合金的热力学基础及如何克服LiCl强烈的吸水性给电解工艺带来的种种不便等均未得到系统研究的现状，设计完成了一系列有关熔盐电化学和热力学实验，填补了本领域的一些研究空白，并为进一步系统研究工艺条件提供了重要的参考数据。1．用NH_4Cl氯化Li_2CO_3的研究 根据热力学从理论上论证了在200 ℃左右下述氯化反应：Li_2CO_3 + 2NN_4Cl = 2LiCl + 2NH_3~↑ + H_2O~↑ + CO_2~↑可以进行完全。利用DSC方法测定反应产物LiCl的纯度，并用离子色谱法分析反应产物中CO_3~=的含量，结果均证明：在Li_2CO_3:NH_4Cl = 1:4 (mol)时，Li_2CO_3可以定量转化为LiCl，剩余的NH_4Cl完全分解。根据热重分析结果推测NH_4Cl氯化Li_2CO_3的反应历程为：Li_2CO_3 + 2NH_4Cl = 2LiCl + 2NH_3~↑ + H_2O~↑ + CO_2~↑ NH_4Cl = HCl~↑ + NH_3~↑ 而并非是想像中的：NH_4Cl = HCl~↑ + NH_3~↑ 2HCl + Li_2CO_3 = 2LiCl + H2O~↑ + CO_2~↑利用X－射线衍射方法分析产物，结果亦说明氯化可以成功。将1:4（mol）= Li_2CO_3:NH_4Cl混合样品在差热分析反应炉中直接加热测定反应产物LiCl的溶点，并与纯LiCl样品熔点的测定结果相比较，二者完全一致。以上结果说明：不仅可用此氯化反应产物代替LiCl应用于熔盐电解制备Al-Li合金中，而且还可将其应用于LiCl体系的相图测定中。因Li_2CO_3，NH_4Cl均不吸水，极易处理，因此以上研究结果无论对于Al-Li合金的工艺研究还是其他有关LiCl体系的基础研究都是很有价值的。2．直接氯化法制备LiCl-KCl-LiF三元相图的研究。LiCl-KCl-LiF三元相图是研究此体系电解机制的重要基础。为将以上直接氯化法应用于差热分析中制作此三元体系相图，首先用直接氯化法测定了三个已知二元LiCl体系相图：LiCl－KCl；LiCl-LiF；LiCl-NaCl。与文献结果吻合很好。说明将此法应用于差热分析中制作LiCl体系相图结果是可靠的。在LiCl-KCl-LiF三元相图的测定中共做出七个垂直截面，在各截面上读出等温条件下的相界点投影到浓度三角形中，得到等温投影图。结果说明LiCl-KCl-LiF是固态完全不互溶的三元共晶体系，共有三个液－固两相区；三个液－固－固三相区；一个液－固－固－固四相区，（三元共晶平面）和一个固－固－固三相区。四相点温度为348 ℃，其组成在三相平衡线的交点处，在实验上测出近似等于：41.4KCl + 57.3LiCl + 1.3LiF (mol)。3．氯化物体系中Li~+, Na~+析出电位的比较及其去极化作用的研究。在正常电化序中，Li~+应先于Na~+析出。但在以Al作阴极电解LiCl体系时，则由于Li~+在Al上有较强的去极化作用而提前析出。这是熔盐电解法可以制备低Na，高纯Al-Li合金的基础。本文在理论上对此问题进行了较深入的研究。具体内容包括（1）。测定Li~+, Na~+在二元氯化物体系中的析出电位。通过在Al阴极，Mo阴极上二离子析出电位的比较，确认了Li~+在Al阴极上产生很强的去极化作用是能利用电解法制备低Na高纯Al-Li合金的根本原因。并为在工艺研究中选择合适的电流密度提供了参考依据。（2）．根据热力学理论推导出合金化反应产生的自由焓变化与去极化作用的关系：ΔG_x + ΔG_m = -nFΔE。揭示了产生去极化作用的原因。并根据ΔG_x（偏摩尔过剩自由焓）与合金结构的关系提出可以利用二元合金相图推测极化类型及极化大小。并根据动力学原理对温度对极化的影响提出了自己的看法。（3）．求出合金化反应的热效应，认为在一定条件下亦可利用此值作为判断去极化作用大小的标准。（4）．测定Li~+, Na~+在Al-Cu, -Al-RE合金上的析出电位。结果表明Cu，RE的存在均可加强Li~+在阴极上的去极化作用，进一步加大了Li~+, Na~+析出电位之间的差别，有利于制备更纯的Al-Li 使金。为直接生产Al-Cu-Li, Al-RE-Li三元母合金奠定了基础。（5）测定Li~+在不同组成配比的LiCl-KCl熔体中，在Al阴极上的析出电位，并求出LiCl的离子平均活度系数γ＝0.71 (T = 740 ℃), 熔体对理想状态产生负偏离。4．利用阳极计时电位法测定T＝720 ℃时Li在液体Al中的扩散系数D_(Li/Al) = 4.94 * 10~(-5)cm~2·s~(-1)，与利用Stocks-Einstan公式计算出的理论值D_(Li/Al) = 4.85 * 10~(-5)cm~2·s~(-1)吻合较好。5．在上述理论研究的基础之上进行了工艺初探，所得初步结论有：（1）．加入LiF可以提高电效。（2）．采用电流密度为1 A/cm~2时，不加搅拌亦可制备出成份均匀，含Li量为10％（w.f）的Al-Li合金。（3）．根据实验结果提出 Li在熔体中的熔解可能是影响电流效果的主要原因。

稀土对Al-Li合金凝固组织的影响及作用机理研究

本论文借助光学显微镜、电镜、X-射线、差热等金相分析技术研究了稀土（La、Ce、Pr、Nd、MM、Ymm）在单向、自由凝固条件下对Al-Li合金凝固组织的影响，进而分析了稀土的作用机理。实验结果表明，稀土对自由凝固的晶粒及二次枝晶、单向凝固的一次枝晶均有细化作用，这种作用同稀土元素、稀土含量及凝固条件有关。分析认为，在合金凝固过程中由于稀土的富集产生“成分过冷”等作用是影响凝固组织的因素。

INVESTIGATION OF BURIED ALN LAYERS FORMED BY NITROGEN IMPLANTATION INTO AL

The composition and microstructure of buried layers of AlN formed by high energy N+ ion implantation into polycrystalline Al have been determined. Both bulk and evaporated thin films of Al have been implanted with 100 and 200 keV N+ ions to doses of up to 1.8 x 10(18)/cm2. The layers have been characterised using SIMS, XTEM, X-ray diffraction, FTIR, RBS and in terms of their microhardness. It is found that, for doses greater than the critical dose, buried, polycrystalline AlN layers are formed with preferred (100) or (002) orientations, which are sample specific. With increasing dose the nitrogen concentration saturates at the value for stoichiometric AlN although the synthesised compound is found to be rich in oxygen.

Deep electron states in n-type Al-doped ZnS1-xTex grown by molecular beam epitaxy

Capacitance-voltage, photoluminescence (PL), and deep level transient spectroscopy techniques were used to investigate deep electron states in n-type Al-doped ZnS1-xTex epilayers grown by molecular beam epitaxy. The integrated intensity of the PL spectra obtained from Al-doped ZnS0.977Te0.023 is lower than that of undoped ZnS0.977Te0.023, indicating that some of the Al atoms form nonradiative deep traps. Deep level transient Fourier spectroscopy (DLTFS) spectra of the Al-doped ZnS1-xTex (x=0, 0.017, 0.04, and 0.046, respectively) epilayers reveal that Al doping leads to the formation of two electron traps 0.21 and 0.39 eV below the conduction band. DLTFS results suggest that in addition to the roles of Te as a component of the alloy as well as isoelectronic centers, Te is also involved in the formation of an electron trap, whose energy level with respect to the conduction band decreases as Te composition increases. Our results show that only a small fraction of Al atoms forms nonradiative deep defects, indicating clearly that Al is indeed a very good donor impurity for ZnS1-xTex epilayers in the range of Te composition being studied in this work. (C) 1997 American Institute of Physics. [S0021-8979(97)08421-1].

GaAs/Al_xGa-(1-x)As球形量子点中的电子结构

详细讨论了GaAs/Al_xGa_(1-x)As球形量子点内的单电子束缚能级随量子点半径、Al组分以及外电场的变化规律,并计算了考虑量子点内外电子有效质量不同后对电子能级的修正.另外,用解析和平面波展开两种方法对球形量子点内的电子能级进行了计算,并对计算结果做了比较,发现它们符合的很好.结论和方法为量子点的研究和应用提供了有益的信息和指导.

射频磁控溅射制备掺Al的纳米Si-SiO_2复合薄膜及其光致发光特性

采用射频磁控技术和退火处理制备掺Al的纳米Si-SiO_2复合薄膜.通过X射线衍射(XRD)、X射线光电子能谱(XPS)和傅里叶变换红外光谱(FTIR)表征了薄膜的结构,组分和成键情况.掺Al在SiO_2中造成氧空位,使薄膜光致发光强度增强,并出现新的发光峰.退火温度对掺Al薄膜的光致发光的峰位和峰强有较大影响.

MOVPE生长Ga_xAl_yIn_（1-x-y）N的准热力学模型（英文）

提出一个以TMGa、TMAl、TMIn和NH_3为源，用MOVPE方法生长Ga_xAl_yIn_(1-x-y)N四元合金的推热力学模型。该模型假设四元合金是由氨和Ⅲ族元素之间反应合成的，其特点是考虑了NH_3的分解效率，并用N、H、Ga、Al及In的摩尔分数代替惯用的分压来表示质量守衡方程。计算了各种生长条件对于与GaN晶格匹配的Ga_xAl_yIn_(1-x-y)N四元合金与注入反应室的Ⅲ族金属有机化合物之间关系的影响。计算表明，几乎所有达到生长表面的Al和Ga都并入到Ga_xAl_yIn_(1-x-y)N四元合金中，而In则富集在气相。为增强铟的并入，应采用低的生长温度，高的Ⅴ/Ⅲ比，氮载气而且须要设法降低到达生长界面前氨的分解。