磷化铟中铁原子替位与填隙的热致转变及其对材料性质的影响

高温退火后掺铁半绝缘(SI)InP单晶转变为n型低阻材料.利用霍尔效应(Hall)，热激电流谱(TSC)，深能级瞬态谱(DLTS)，X射线衍射等方法分别研究了退火前后InP材料的性质和缺陷.结果表明受高温热激发作用部分铁原子由替位转变为填隙，导致InP材料缺少深能级补偿中心而发生导电类型转变.通过比较掺杂、扩散和离子注入过程Fe原子的占位和激活情况分析了这一现象的机理和产生原因. 关键词： 磷化铟 铁激活 退火 半绝缘     

深能级缺陷对半绝缘InP材料电学补偿的影响

对铁掺杂和高温退火非掺杂磷化铟制备的两种半绝缘材料的电学补偿和深能级缺陷进行了分析和比较.根据热激电流谱(TSC)测得的深能级缺陷结果，分析了这两种半绝缘InP材料中深能级缺陷对电学补偿的影响.在掺铁半绝缘InP材料中，由于存在高浓度的深能级缺陷参与电学补偿，降低了材料的补偿度和电学性能.相比之下，利用磷化铁气氛下高温退火非掺InP获得的半绝缘材料的深能级缺陷浓度很低，通过扩散掺入晶格的铁成为唯一的深受主补偿中心钉扎费米能级，材料表现出优异的电学性质.在此基础上给出了一个更为广泛的半绝缘InP材料的电学补偿模型.     

高温退火后非掺杂磷化铟材料的电子辐照缺陷

对不同气氛下高温退火非掺杂磷化铟(InP)材料的电子辐照缺陷进行了研究. 除铁受主外，磷化铁(FeP₂)气氛下退火后的InP中辐照前没有深能级缺陷，而辐照后样品的热激电流谱(TSC)中出现了5个较为明显的缺陷峰，对应的激活能分别为0.23 eV, 0.26 eV, 0.31 eV, 0.37 eV和0.46 eV. 磷(P)气氛下退火后InP中的热生缺陷较多，电子辐照后形成的缺陷具有复合体特征. 与辐照前相比，辐照后样品的载流子浓度和迁移率产生显著变化. 在同样的条件下，经FeP₂ 气氛下高温退火后的InP样品的辐照缺陷恢复速度较快. 根据这些现象分析了缺陷的属性、快速恢复机理和缺陷对材料电学性质的影响. 关键词： 磷化铟 电子辐照 缺陷     

硼/氮原子共掺入金刚石的晶格损伤及其退火过程的计算机模拟

借助于Tersoff势函数和分子动力学模拟技术研究了室温下500eV的能量粒子硼(4个)和氮(8个)共掺入金刚石晶体中所引起的损伤区域内晶体微细观结构的变化特征以及后续加热退火晶体结构的演变特征.结果表明：随着掺入原子数目的增加，受影响的区域范围渐渐增大，12个粒子全部注入金刚石晶体后局部影响区域的半径达0.68nm，损伤区域中心的三配位原子数增加而四配位数原子数量减少.加热退火过程中损伤中心区域的原子发生扩散，部分原子的扩散距离达到4个晶格间距.加热退火使损伤区域中心原子间的平均键长趋于金刚石结构的键长.退火后薄膜中注入的杂质原子向表面扩散引起应力分布产生变化，杂质原子经过一系列的扩散过程能够到达空位的位置，减少薄膜中空位数量，减小晶格畸变程度，原子向表面扩散引起应力产生重新分布，薄膜中应力峰值的峰位向薄膜表面发生移动，局部应力集中程度降低.通过不同退火温度的比较发现低温下退火(800℃)更有利于空位的运动和晶格损伤的恢复从而提高晶格质量. 关键词： 金刚石共掺杂 分子动力学 退火     

He离子注入ZnO中缺陷形成的慢正电子束研究

在ZnO单晶样品中注入了能量为20—100keV、总剂量为4.4×10¹⁵cm^-2的He离子.利用基于慢正电子束的多普勒展宽测量研究了离子注入产生的缺陷.结果表明，He离子注入ZnO产生了双空位或更大的空位团.在400℃以下退火后，He开始填充到这些空位团里面，造成空位团的有效体积减少.经过400℃以上升温退火后，这些空位团的尺寸开始增大，但由于有少量的He仍然占据在空位团内，因此直到800℃这些空位团仍保持稳定.高于800℃退火后，由于He的脱附，留下的空位团 关键词： 慢正电子束 ZnO 离子注入 缺陷     

Defect Characterization of 6H-SiC Studied by Slow Positron Beam

利用单能慢正电子束流,对原生的和经过电子辐照的6H-SiC内的缺陷形成及其退火行为进行研究．发现在n型6H-SiC中,经过退火后缺陷浓度降低．这主要是因为在退火过程中缺陷和间隙子的相互作用所引起．n型6H-Si经过1400 oC、30 min真空退火后,在SiC表面形成一个大约20 nm的Si层,这是在高温退火过程中Si原子向表面逸出的有力证明．在高温退火中,在样品的近表面区域有一个明显的表面效应,既在这些区域的S参数整体较大,这种现象与高温退火中Si不断向表面逸出有关．经过10 MeV的电子辐照,在n型6H-SiC中,正电子有效扩散长度从86.2 nm减少至39.1 nm,说明在样品中由于电子辐照产生大量缺陷．但是对p型6H-SiC,经过10 MeV电子辐照后有效扩散长度变化不大,这与其中缺陷的正电性有关．同时还对n型6H-SiC进行了1.8 MeV电子辐照后的300 oC退火实验,发现退火后缺陷浓度不减反增,这主要是因为在退火过程中,一些双空位缺陷和Si间隙子互相作用从而产生了VC缺陷的缘故．     

离子辐照产生的空位型缺陷对Si中B原子热扩散的影响

使用二次离子质谱仪分析了附加的空位型缺陷对单晶Si中注入B原子热扩散的影响. Si中B原子是通过30keV B离子室温注入而引入的, 注入剂量为2×10¹⁴cm^－2. Si中附加的空位型缺陷通过两种方式产生: 一是采用40或160keV He离子注入单晶Si到剂量5×10¹⁶cm^－2,并经800°C退火1h; 二是采用0.5MeV F或O离子辐照单晶Si到剂量5×10¹⁵cm^－2.结果显示, 不同方式产生的附加的空位型缺陷均能抑制注入的B原子在随后热激活退火中发生瞬间增强扩散效应, 并且抑制的效果依赖于离子的种类和离子的能量. 结合透射电子显微镜和卢瑟福背散射分析结果对以上抑制效应进行了定性的讨论.     

Fe-Cr合金辐照空洞微结构演化的相场法模拟

Fe-Cr合金作为包壳材料在高温高辐照强度等极端环境下服役,产生空位和间隙原子等辐照缺陷,辐照缺陷簇聚诱发空洞、位错环等缺陷团簇,引起辐照肿胀、晶格畸变,导致辐照硬化或软化致使材料失效.理解辐照缺陷簇聚和长大过程的组织演化,能更有效调控组织获得稳定服役性能.本文采用相场法研究Fe-Cr合金中空洞的演化,模型考虑了温度效应对点缺陷的影响以及空位和间隙的产生和复合.选择400—800 K温度区间、0—16 dpa辐照剂量范围的Fe-Cr体系为对象,研究在不同服役温度和辐照剂量下的空位扩散、复合和簇聚形成空洞的过程.在400—800 K温度区间,随着温度的升高,Fe-Cr合金空洞团簇形核率呈现出先升高后下降的趋势.考虑空位与间隙的重新组合受温度的影响可以很好地解释空洞率随温度变化时出现先升高后降低的现象.由于温度的变化将影响Fe-Cr合金中原子离位阀能,从而影响产生空位和间隙原子.同一温度下,空洞半径和空洞的体积分数随辐照剂量的增大而增大.辐照剂量的增大,级联碰撞反应加强,空位与间隙原子大量产生,高温下空位迅速的扩散聚集在Fe-Cr合金中将形成更多数量以及更大尺寸的空洞.     

点缺陷对单层MoS_2电子结构及光学性质的影响研究

采用基于第一性原理的贋势平面波方法,对不同类型点缺陷单层Mo S2电子结构、能带结构、态密度和光学性质进行计算.计算结果表明:单层Mo S2属于直接带隙半导体,禁带宽度为1.749e V,Mo空位缺陷V-Mo的存在使得单层Mo S2转化为间接带隙Eg=0.660e V的p型半导体,S空位缺陷V-S使得Mo S2带隙变窄为Eg=0.985e V半导体,S原子替换Mo原子S-Mo反位缺陷的存在使得Mo S2转化为带隙Eg=0.374e V半导体;Mo原子替换S原子Mo-S反位缺陷形成Eg=0.118e V直接带隙半导体.费米能级附近的电子态密度主要由Mo的4d态和s的3p态电子贡献.光学性质计算表明:空位缺陷对Mo S2的光学性质影响最为显著,可以增大Mo S2的静态介电常数、折射率n0和反射率,降低吸收系数和能量损失.     

B_2-AgMg金属间化合物点缺陷行为的理论研究

运用密度泛函理论研究了B_2-AgMg金属间化合物中Mg原子空位,反位和Al原子空位,反位缺陷对AgMg热力学性能的影响.结果表明:Mg和Ag反位缺陷由于与周围原子形成典型的共价键而更易于形成.这四种缺陷的出现,破坏了晶体的有序结构,导致了B_2-AgMg金属间化合物的硬度,脆性以及德拜温度出现了不同程度的降低.     

PASSIVATION OF THE InP(100) SURFACE USING (NH4)2Sx

InP(100) surface treated with (NH₄)₂S_x has been investigated by using photolumines-cence(PL), Auger electron spectroscopy and X-ray photoelectron spectroscopy, It is found that PL intensity increased by a factor of 3.3 after (NH₄)₂S_x passivation and the sulfur remained on the surface only bonded to indium, not to phosphorus. This suggests that the sulfur atoms replace the phosphorus atoms on the surface and occupy the phosphorus vacancies.     

PASSIVATION OF THE InP(100) SURFACE USING (NH4)2Sx

InP(100) surface treated with (NH₄)₂S_x has been investigated by using photolumines-cence(PL), Auger electron spectroscopy and X-ray photoelectron spectroscopy, It is found that PL intensity increased by a factor of 3.3 after (NH₄)₂S_x passivation and the sulfur remained on the surface only bonded to indium, not to phosphorus. This suggests that the sulfur atoms replace the phosphorus atoms on the surface and occupy the phosphorus vacancies.     

Mössbauer study of defects created by low-fluence In+ implantations in InP

The temperature and fluence dependence of defect interactions in damage cascades in n-type InP has been investigated with ion-implanted radioactive¹¹⁹In (T _1.2=2.1 min) probe atoms. The hyperfine interactions for the¹¹⁹Sn Mössbauer daughter atoms in the resulting defect structures have been determined. An annealing model based on the temperature dependent mobility of lattice defects and their interactions in three observed annealing stages is proposed.     

Photoluminescence enhancement of InP treated with activated hydrogen

A large enhancement of the photoluminescence intensity emitted by a (100)-oriented InP surface after exposure to activated hydrogen, indicating a sharp reduction of the surface recombination rate is reported in this work. It is shown, using capacitance-voltage measurements performed on metal-insulator-semiconductor structures, that the hydrogen treatment results also in a strong pinning of the interface Fermi level. These phenomena are interpreted on the following basis: (i) neutralization by hydrogen species of active recombination centers which are deemed to be phosphorus dangling bonds; (ii) creation of pinning surface states due to the formation of volatile phosphorus hydride compounds freeing excess indium atoms.     

Cathodoluminescence investigations of RIE-induced defects in InP

Cathodoluminescence (CL) measurements have been performed to characterize defects in InP created by reactive ion etching (RIE) in a CH₄/H₂/Ar plasma. Etching of semi-insulating InP:Fe leads to an increase of CL intensity. After etching of undoped, n-type InP a reduction of band-edge as well as band-acceptor/donor-acceptor-pair emission intensity is detected. No additional emission lines due to etching-induced defects have been detected in the spectral range examined. After a few minutes of electron beam injection the band-edge luminescence recovers to its initial value. Using donor-bound exciton emission, which is especially affected by RIE, mapping of these defects is possible, showing homogeneous defect distribution. In conjunction with other measurements (conductivity, photoluminescence, electron-beam-induced current, Raman scattering, Auger electron spectroscopy depth profiling) these results indicate a nonradiative, donor-like defect created by RIE.     

The Effects of Thermal Treatments on Microstructure Phosphorus-Doped ZnO Layers Grown by Thermal Evaporation

The ZnO films doped with 3 wt% phosphorus (P) were produced by activating phosphorus doped ZnO (ZnO:P) thin films in oxygen (O₂) ambient at 600°C for 30, 60, 90 and 120 min, respectively. As-deposited films doped with phosphorus are highly conductive and n type. All the films showed p-type conduction after annealing, in an O₂ ambient atmosphere. The activation energies of the phosphorus dopant in the p-type ZnO under O₂ ambient gases indicate that phosphorus substitution on the O site yielded a deep level in the gap. With a further increase of the annealed durations, the crystalline quality of the ZnO:P sample is degraded. The best p-type ZnO:P film deposited at 600°C for 30 min shows a resistivity of 1.85 Ω cm and a relatively high hole concentration of 5.1 × 10¹⁷cm^–3 at room temperature. The films exhibit a polycrystalline hexagonal wurtzite structure without preferred orientation. The mean grain sizes are calculated to be about 60, 72, 78, 85 and 90 nm for the p-type ZnO films prepared at 600°C for 30, 60, 90 and 120 min, respectively. Room temperature photoluminescence (PL) spectra of the ZnO film exhibit two emission bands — paramount excitonic ultraviolet (UV) emission and weak deep level visible emission. The excellent emission from the film annealed at 600°C for 30 min is attributed to the good crystalline quality of the p-type ZnO film and the low rate of formation of intrinsic defects at such short duration. The visible emission consists of two components in the green range.     

Structure of ordered and disordered InxGa1−xP(0 0 1) surfaces prepared by metalorganic vapor phase epitaxy

Ordered and disordered InGaP(0 0 1) films were grown by metalorganic vapor-phase epitaxy and studied by low energy electron diffraction, reflectance difference spectroscopy, and X-ray photoemission spectroscopy. Both alloy surfaces were covered with a monolayer of buckled phosphorus dimers, where half of the phosphorus atoms were terminated with hydrogen. Ordered InGaP(0 0 1) appeared indium rich, and exhibited a reflectance difference spectrum like that of InP(0 0 1). These results support a model whereby the strain energy on the ordered InGaP surface is reduced by aligning the group III atoms in alternating [1 1 0] rows, with the indium and gallium bonding to the buckled-down and buckled-up phosphorus atoms, respectively.