CI在Si和Ge(111)面上的化学吸附

考虑了Si(111)和Ge(111)面吸附Cl的几何构形,本文采用集团模型,用电荷自洽的EHMO方法,对Si(111)和Ge(111)面,分别用能量极小的原则,确定了Cl的化学吸附位置。计算结果表明,对于Si(111)面,Cl是在顶位被吸附,形成共价结合,与实验结果一致。对于Ge(111)面,计算表明在顶位和三度开位上都能吸附Cl,与以前结论有一些不同,但本文认为偏振光电子谱的实验结果并不能完全排除Cl在Ge(111)面上顶位吸附的可能性。希望有其他实验能对Cl在Ge(111)面上的吸附作进一步的观察。此外,还计算了Cl在Si(111)面顶位上的吸附和它在Ge(111)面三度开位上的吸附时的状态密度,和实验结果进行了比较,相符甚好。 关键词：     

用于凝聚态物质研究的旋转晶体中子飞行时间谱仪

本文介绍了我所自行设计和制造的一台旋转晶体中子飞行时间谱仪。该仪器对凝聚态物质的各种动力学研究是一个有效的工具。我们通过选取适当的锗单晶(111)平面旋转轴的办法消除了仪器单色束中多晶面反射的“污染”(contamination)。该谱仪的入射初始中子能量范围可为10—100meV,对应的初始中子能量分辨率为2.5—7.2％。本文根据Brockhouse理论对散射中子的分辨率作了详细的理论计算,并将计算结果与实测结果进行了对比。介绍了标准钒样品的非弹性散射中子谱的测量结果并与国外几个同类型谱仪的基本特性作了比较。     

YBa2Cu3O6+δ的高频模及其随氧含量δ的变化

在中国原子能科学研究院新建的宽角(～30°)Be过滤探测器中子非弹性散射谱仪上,在入射中子能量从10直至150meV的范围内,测量了几种不同氧含量的YBa₂Cu₃O_6+δ样品的中子非弹性散射能谱。结果表明:(1)在δ=0和0.2时,在60至150meV能量范围内,发现有强的高频模存在,当其温度高到Nel点(～410K)以上直至466K时,没有观察出高频模强度的减弱。而δ=0.78和0.97时,在75至150meV能量范围内,散射强度在测量误 关键词：     

Si(111)-(7×7)表面上Ge量子点的自组织生长

用扫描隧道显微镜研究了Si(111)(7×7)表面上Ge量子点的自组织生长.室温下用固相外延法在硅基底上沉积亚单层的Ge,然后在适当的温度下退火可以聚集形成有序的Ge量子点.由于Ge在Si(111)(7×7)表面选择性的吸附而形成有序的Ge量子点. 关键词： 锗 硅 扫描隧道显微镜 自组织生长     

Ge/Si(111)与Si/Ge(111)体系的生长特性与表面再构研究

本文利用RHEED和AES对Ge/Si(111)和Si/Ge(111)体系的生长特性与表面再构进行了研究。由此提出了其生长模式,并讨论了应力对生长特性、界面特性和表面再构的作用。     

在Si(111)-(7×7)表面自组织生长二维Ge团簇超晶格

利用超高真空扫描隧道显微镜研究了室温条件下亚单层Ge在Si(111)-(7×7)表面上的自组织生长.通过控制Ge的沉积量,在Si(111)-(7×7)表面上自组织生长成一种具有六重对称性的二维Ge团簇超晶格.构成超晶格的Ge团簇均位于(7×7)亚单胞的位置上,而且它们的形状和大小基本保持一致.文中对这种自组织结构的形成机理进行了讨论.     

用RHEED强度振荡锁相外延控制Ge/Si超晶格的生长

观察了Ge,Ge/Si交替外延时的反射式高能电子衍射(RHEED)强度振荡现象,并由此研究了Si(100)和Si(111)衬底上分子束外延Ge,Ge/Si超薄叠层的生长行为和生长特性。利用RHEED强度振荡,锁相控制生长了Ge(2ML)/Si(2ML),Ge(4ML)/Si(4ML)超薄超晶格。 关键词：     

在Si（111）—（7×7）表面自组织生长二维Ge团簇超晶格

利用超高真空扫描隧道显微镜研究了室温条件下亚单层Ge在Si(111)-(7×7)表面上的自组织生长.通过控制Ge的沉积量,在Si(111)-(7×7)表面上自组织生长成一种具有六重对称性的二维Ge团簇超晶格.构成超晶格的Ge团簇均位于(7×7)亚单胞的位置上,而且它们的形状和大小基本保持一致.文中对这种自组织结构的形成机理进行了讨论.     

在Si(111)-(7×7)表面自组织生长二维Ge团簇超晶格

利用超高真空扫描隧道显微镜研究了室温条件下亚单层Ge在Si(111)(7×7)表面上的自组织生长.通过控制Ge的沉积量,在Si(111)(7×7)表面上自组织生长成一种具有六重对称性的二维Ge团簇超晶格.构成超晶格的Ge团簇均位于(7×7)亚单胞的位置上,而且它们的形状和大小基本保持一致.文中对这种自组织结构的形成机理进行了讨论     

INTERFACE FORMATION OF Ge/ZnSe(100) AND Ge/ZnS(111) HETEROJUNCTIONS STUDIED BY SYNCHROTRON RADIATION PHOTOEMISSION

The microscopic evolution of interface formation between Ge and Ⅱ-Ⅵ compounds such as ZnSe and ZnS single crystals has been studied by synchrotron radiation photoemission spectroscopy and low energy electron diffraction. Core level intensity measurements from the substrate as well as from the overlayer show a nearly ideal two-dimensional growth mode for the deposition of Ge on ZnSe(100) surface. How-ever, there is a certain deviation from the ideal two-dimensional mode in the case of Ge/ZnS(111) due to the diffusion of substrate atoms into Ge overlayer. Surface semi-tire core level spectra indicate that the reaction of Ge with S atoms at Ge/ZnS(111) interfaces is much stronger than that of Ge with Se atoms at Ge/ZnSe(100) interfaces.     

GeH/π层间弱相互作用调控锗烯电子结构的机制

锗烯是继石墨烯、硅烯发现以来最重要的二维纳米材料之一, 以其优异的物理化学性质迅速得到人们的广泛关注. 然而, 锗烯具有的零带隙能带特点(狄拉克点)极大程度地限制了其在微电子纳米材料方面的应用. 本文采用范德华力修正的密度泛函计算方法, 研究了锗烯、锗烷、锗烯/锗烷的几何和电学性质. 研究发现, 锗烯和锗烷可以通过弱相互作用形成稳定的双层结构, 并在锗烯中打开一个85 meV的带隙. 电子结构分析表明, Ge-H/π 的存在破坏了锗烯子晶格的对称性, 从而在狄拉克点上打开一个带隙. 差分电荷密度图分析表明有部分电荷从H原子的s轨道转移至Ge的p_z轨道. 该电荷转移机制增强了锗烯与锗烷之间的相互作用力, 是形成锗烯/锗烷双层二维纳米结构的主要原因. 进一步研究还发现, 锗烷/锗烯/锗烷的三明治结构无法在锗烯中打开带隙. 这是由于两侧的锗烷对夹层的锗烯作用力等价, 无法破坏锗烯的子晶格对称性, 所以无法打开锗烯带隙. 最后, 所有计算结果都在高精度杂化密度泛函HSE06计算精度下得到进一步验证. 因此, 本文从理论上提出了一种切实可行的打开锗烯狄拉克点的方法, 为锗烯在场效应管和其他纳米材料中的应用提供了理论指导.     

Calculation of shuffle 60° dislocation width and Peierls barrier and stress for semiconductors silicon and germanium

The dislocation width for shuffle 60° dislocation in semiconductors Si and Ge have been calculated by the improved P-N theory in which the discrete effect has been taken into account. Peierls barrier and stress have been evaluated with considering the contribution of strain energy. The discrete effect make dislocation width wider, and Peierls barrier and stress lower. The dislocation width of 60° dislocation in Si and Ge is respectively about 3.84 Å and 4.00 Å (～1b, b is the Burgers vector). In the case of 60° dislocation, after considering the contribution of strain energy, Peierls barrier and stress are increased. The Peierls barrier for 60° dislocation in Si and Ge is respectively about 15 meV/Å and 12–14 meV/Å, Peierls stress is about 3.8 meV/ų (0.6 GPa) and 2.7–3.3 meV/ų (0.4–0.5 GPa). The Peierls stress for Si agrees well with the numerical results and the critical stress at 0 K extrapolated from experimental data. Ge behaves similarly to Si.     

Short period (Si6Ge4)p superlattices: photoluminescence and electron microscopy study

Si–Ge heterostructures made of 6 monolayers of Si and 4 monolayers of Ge repeated p times (Si₆Ge₄)_p, strained on Si (1 0 0) substrates, have been investigated by photoluminescence measurements and electron microscopy. The films were grown at 400°C by molecular beam epitaxy, using Sb as surfactant. The photoluminescence results of the whole set of samples show similar spectra, for both the single Ge quantum well (p=1) and the thicker heterostructure (p=30). The phonon assisted transverse optical line is measured at about 40 meV far from the no-phonon one, and this corresponds to the Ge–Ge vibration. Our results demonstrate that excitonic recombination occurs mainly in the Ge layers and it is indirect in nature, whatever the repetition number (p) is. Furthermore, we evidenced a high localization of the photoluminescence process excluding any superperiodicity effect.     

GaAs/Ge的MOCVD生长研究

用常压MOCVD在Ge衬底上外延生长了GaAs单晶层,研究了GaAs和6e的极性与非极性材料异质外延生长,获得了质量优良的GaAs/Ge外延片,GaAs外延层X射线双晶衍射回摆曲线半高宽达16弧秒.10K下PL谱半峰宽为7meV.讨论了极性与非极性外延的界面反相畴问题和GaAs-Ge界面的Ga、Ge原子互扩散问题.     

Band gap tuning of Ge/SiC bilayers under an electric field: a density functional study

The structure and electronic properties of Ge/SiC van der Waals (vdW) bilayer under the influence of an electric field have been investigated by the first-principles method. Without an electric field, the system shows a small band gap of 126 meV at the equilibrium state. Interestingly, by applying a vertical external electric field, the results present a parabola-like relationship between the band gap and the strength. As the negative E-field changes from 0.0 to ?0.40 V/Å, the band gap first increases to a maximum of about 378 meV and then decreases to zero. A similar trend is exhibited for the positive E-field, ranging from 0.0 to +0.40 V/Å. The band gap reaches a maximum of about 315 meV at +0.10 V/Å. The significant variations of band gap are owing to different states of Ge, Si, and C atoms in conduction band and valence band. The predicted electric field tunable band gap of the Ge/SiC vdW heterostructures is very promising for its potential use in nanodevices.     

Ultrasonic attenuation due to resonant interaction with a distribution of level splittings of the ground state of shallow acceptors in Ge

The ultrasonic attenuation in Ge (Ga, In) has been measured in the frequency range from 500 MHz to 2.5 GHz, and from room temperature down to 1 K. Below 10 K the attenuation rises as ω²/T. For the first time saturation of the attenuation has been observed for ground state of a shallow acceptor. These results can be interpreted as due to resonance interaction with level splittings of a broad distribution with width of about 0.1 meV.     

NEUTRON SCATTERING AND LATTICE DYNAMICAL STUDIES OF THE HIGH-PRESSURE PHASE ICE (I)

Lattice dynamical calculations of ice VIII have been carried out by using a slightly modified set of force constants obtained recently for ice Ih (Li J C and Ross D K 1993 Nature 365 327). A weak interaction was introduced between the two interpenetrated sublattices in the ice VIII structure. The calculated results for H₂O and D₂O ice VIII are in reasonable agreement with the measured inelastic neutron scattering spectra. The eigenvectors of phonon modes in the range of translational and librational bands have been studied in order to understand the properties of the vibrational modes. It is found that the third peak at 26.7meV in the translation results from weak hydrogen bond interactions, and the first peak (14.7meV) is much higher than it is in ice Ih (～7.1meV), which is partially due to the interactions between the two sublattices.     

Examination of Bragg backscattering from crystalline quartz

The backscattering silicon single crystals normally used for hard X-ray inelastic scattering experiments suffer from parasitic reflections and gaps in photon energy where no backscattering reflection exists. Sapphire has been proposed as a possible alternative, but quartz may have advantages over sapphire at low photon energies (5-12.5 keV). Calculations of energy widths of backscattering reflections up to 30 keV for silicon, sapphire, and quartz are compared. The quartz (11 6 0) reflection is examined at 0.03° from backscattering with 0.8 meV bandwidth beam, and its energy width is measured. Finally, the thermal expansions of quartz and silicon are compared.     

Enhancement of electron–ion recombination rates at low energy range in the heavy ion storage ring CSRm

Recombination of Ar¹⁴⁺, Ar¹⁵⁺, Ca¹⁶⁺, and Ni¹⁹⁺ ions with electrons has been investigated at low energy range based on the merged-beam method at the main cooler storage ring CSRm in the Institute of Modern Physics, Lanzhou,China. For each ion, the absolute recombination rate coefficients have been measured with electron–ion collision energies from 0 meV to 1000 meV which include the radiative recombination(RR) and also dielectronic recombination(DR)processes. In order to interpret the measured results, RR cross sections were obtained from a modified version of the semiclassical Bethe and Salpeter formula for hydrogenic ions. DR cross sections were calculated by a relativistic configuration interaction method using the flexible atomic code(FAC) and AUTOSTRUCTURE code in this energy range. The calculated RR + DR rate coefficients show a good agreement with the measured value at the collision energy above 100 meV.However, large discrepancies have been found at low energy range especially below 10 meV, and the experimental results show a strong enhancement relative to the theoretical RR rate coefficients. For the electron–ion collision energy below 1 meV, it was found that the experimentally observed recombination rates are higher than the theoretically predicted and fitted rates by a factor of 1.5 to 3.9. The strong dependence of RR rate coefficient enhancement on the charge state of the ions has been found with the scaling rule of q^3.0, reproducing the low-energy recombination enhancement effects found in other previous experiments.