Electronic structure, energetics and geometric structure of carbon nanotubes: A density-functional study

Based on the local density approximation (LDA) in the framework of the density-functional theory, we study the details of electronic structure, energetics and geometric structure of the chiral carbon nanotubes. For the electronic structure, we study all the chiral nanotubes with the diameters between 0.8 and 2.0 nm (154 nanotubes). This LDA result should give the important database to be compared with the experimental studies in the future. We plot the peak-to-peak energy separations of the density of states (DOS) as a function of the nanotube diameter (D). For the semiconducting nanotubes, we find the peak-to-peak separations can be classified into two types according to the chirality. This chirality dependence of the LDA result is opposite to that of the simple π tight-binding result. We also perform the geometry optimization of chiral carbon nanotubes with different chiral-angle series. From the total energy as a function of D, it is found that chiral nanotubes are less stable than zigzag nanotubes. We also find that the distribution of bond lengths depends on the chirality.     

Measurement of the wrong-sign decays D0 --> K+ pi- pi0 and D0 --> K+ pi- pi+ pi-, and search for CP violation

Using 281 fb-1 of data from the Belle experiment recorded at or near the (4S) resonance, we have measured the rates of the "wrong-sign" decays D0 --> K+ pi- pi0 and D0 --> K+ pi- pi+ pi- relative to those of the Cabibbo-favored decays D0 --> K- pi+ pi0 and D0 --> K- pi+ pi+ pi-. These wrong-sign decays proceed via a doubly Cabibbo-suppressed amplitude or via D0-D0 mixing; the latter has not yet been observed. We obtain R(WS)(K pi pi0) = [0.229 +/- 0.015(stat)(+0.013)(-0.009)(syst)]% and R(WS)(K3pi) = [0.320 +/- 0.018(stat)(+0.018)(0.013)(syst)]%. The CP asymmetries are measured to be -0.006 +/- 0.053 and -0.018 +/- 0.044 for the K+ pi- pi0 and K+ pi- pi+ pi- final states, respectively.     

Pressure effect on the electron mobility in AlAs/GaAs quantum wells

By taking the influence of optical phonon modes into account, this paper adopts the dielectric continuum phonon model and force balance equation to investigate the electronic mobility parallel to the interfaces for AlAs/GaAs semiconductor quantum wells (QWs) under hydrostatic pressure. The scattering from confined phonon modes, interface phonon modes and half-space phonon modes are analysed and the dominant scattering mechanisms in wide and narrow QWs are presented. The temperature dependence of the electronic mobility is also studied in the temperature range of optical phonon scattering being available. It is shown that the electronic mobility reduces obviously as pressure increases from 0 to 4GPa, the confined longitudinal optical (LO) phonon modes play an important role in wide QWs, whereas the interface optical phonon modes are dominant in narrow QWs, the half-space LO phonon modes hardly influence the electronic mobility expect for very narrow QWs.     

缓冲层对量子阱二能级系统中电子子带间跃迁光吸收的影响

由于ZnO缓冲层对纤锌矿ZnO/Mg_xZn_(1-x)O有限深单量子阱结构左垒的限制作用,导致阱和右垒的尺寸、Mg组分值等因素将影响系统中形成二能级.本文考虑内建电场、导带弯曲及材料掺杂对实际异质结势的影响,利用有限差分法数值求解Schr?dinger方程,获得电子的本征能级和波函数,探讨ZnO缓冲层对此类量子阱形成二能级系统的尺寸效应及三元混晶效应的影响;利用费米黄金法则探讨缓冲层、左垒、阱及右垒宽度和三元混晶效应对此类量子阱电子子带间跃迁光吸收的影响.计算结果显示:对于加入ZnO缓冲层的ZnO/Mg_xZn_(1-x)O有限深单量子阱二能级系统,左垒宽度临界值会随着阱宽和Mg组分值的增大而逐渐减小,随着右垒宽度和缓冲层厚度的增大而逐渐增大;量子阱中电子子带间跃迁光吸收峰会随着左垒、右垒尺寸以及Mg组分的增大发生蓝移,随着阱宽增大而发生红移.本文所得结果可为改善异质结器件的光电性能提供理论指导.     

An X-ray diffraction study of anharmonic thermal vibrations in the ionic conductor,barium chloride fluoride (BaClF)

Integrated intensities of X-ray reflections from a barium chloride fluoride single crystal were measured at 24, 180, 289, 402, 467 and 610°C. The intensities were used for the determination of the anharmonic potential parameters up to the third order. Harmonic potential parameters for each ion were obtained from the temperature dependence of thermal parameters, and anharmonic potential parameters were determined by the least-squares procedures, utilizing the temperature factor formalism based on the cumulant expansion. As a result, it has been found that the Ba²⁺ and Cl^? ions show an anharmonicity, while no significant anharmonic effect was detected for the F^? ion. From the potential calculated around the Cl^? and F^? ions, it was found that both Cl^? and F^? ions diffuse more easily within the (001) plane than along the c axis.     

Anomalous heat evolution of deuteron implanted al upon electron bombardment III - try to observe the nuclear d-d reaction

In previous papers, one of the authors (K. K.) has observed the anomalous melting of the surface layer of deuteron implanted Al, containing so-called "tunnel structures", on the electron bombardment in transmission electron microscope. In the present paper, we intended to observe the evidence of the d-d nuclear reaction, expecting neutron emission, associated with the melting phenomenon. However, the result was rather unexpected. The melting phenomenon was certainly observed under the same experimental conditions as before. But, in spite of the melting, neutron emission associated with the nuclear reaction was not observed. And, more unexpectedly, X-ray emission of energy less than roughly 400 v keV was observed when specimens with a bubble structure, which never showed melting, were bombarded with electron beams. Several conceivable mechanisms are discussed which, however, are all not convincing to explain the melting. The melting is attributed to some excess energy generation. The error estimation of the radiation measurements was undertaken.     

Measurements of the cross section for e(+)e(-) --> hadrons at center-of-mass energies from 2 to 5 GeV

We report values of R = sigma(e(+)e(-)-->hadrons)/sigma(e(+)e(-)-->mu(+)mu(-)) for 85 center-of-mass energies between 2 and 5 GeV measured with the upgraded Beijing Spectrometer at the Beijing Electron-Positron Collider.     

聚异丁烯高活性端基含量及相对分子质量测定方法的研究

综合使用核磁，VPO和近红外光谱分析技术对聚异丁烯活性端基含量以及相对分子质量的测定进行了详细研究，分别建立核测定聚异丁烯活性端基含量以及其他烯键含量和近红外光谱快速测量聚异聚丁烯活性端基含量。其他烯键含量和相对分子质量的分析方法。成对t检验结果表明，近红外光谱分析方法测定结果与核磁和VPO方法测定结果之间无显著性差异。     

Correlations between quantum and stochastic systems with a dephasing coupling

Correlations between single qubit and classical environment are studied by means of the stochastic Liouville equation, where a dephasing coupling between them is assumed. When the dephasing of the qubit is characterized by the two-state-jump Markov process, the properties of the total, classical and quantum correlations are examined.     

Cu NMR/NQR Studies on Magnetism in Impurity/Hole-Doped Spin-Ladder Compounds

Cu nuclear magnetic resonance (NMR) spectra of impurities (Zn, Ni, and La)-doped spin-1/2 Heisenberg ladder compounds SrCu₂O₃ (Sr123) are broadened with Curie-like temperature (T) dependence. The spectra have been successfully fit by using a quasi-one-dimensional (Q1D) staggered polarization (SP) model. Such a SP has also revealed in Cu NMR measurements of Sr_14–x Ca _x Cu₂₄O₄₁ (Cax) with hole-doped ladders. The origin of possible 3D antiferromagnetic (AF) long-range ordering in (Zn and Ni)-doped Sr123 and Cax around x=12 at low T is considered to be similar. Once unpaired spins S ₀'s are induced and 3D interlayer interaction occurs, the localized spins couple in the whole system.