Electronic structure and site occupation for the intermediate phase of LaNi4.5Al0.5Hy

The crystal structure, electronic structure and hydrogen site occupancy of LaNi_4.5Al_0.5H_y intermediate phase (y=2.0, 3.0, 4.0) have been investigated using the full-potential linearized augmented plane wave (FLAPW) method. For the first time we analyzed the interstitial site occupation of hydrogen atoms. The H atoms were found to prefer the 6m, 3f and 12n sites, while no 4h sites were occupied. A narrowed Ni-d band is found due to the lattice expansion: the total DOS at E_F increases with y, which indicates that the compounds become less stable. The interaction between Al and Ni, with H plays a dominant role in the stability of LaNi_4.5Al_0.5H_y intermediate phase. The smaller the shift of E_F towards the higher energy region, the more stable the compounds will be. Our results are compared with experimental data and discussed in the light of previous works.     

Electronic Structures of Wurtzite GaN with Ga and N Vacancies

The electronic band structures of wurtzite GaN with Ga and N vacancy defects are investigated by means of the first-principles total energy calculations in the neutral charge state. Our results show that the band structures can be significantly modified by the Ga and N vacancies in the GaN samples. Generally, the width of the valence band is reduced and the band gap is enlarged. The defect-induced bands can be introduced in the band gap of GMV due to the Ga and N vacancies. Moreover, the GaN with high density of N vacancies becomes an indirect gap semiconductor. Three defect bands due to Ga vacancy defects are created within the band gap and near the top of the valence band. In contrast, the N vacancies introduce four defect bands within the band gap. One is in the vicinity of the top of the valence band, and the others are near the bottom of the conduction band. The physical origin of the defect bands and modification of the band structures due to the Ga and N vacancies are analysed in depth.     

Density functional theory study on LaNi4.5Al0.5 hydride phase： electronic properties and sites occupation＊

In this paper the crystal structure, electronic structure and hydrogen site occupation of LaNi4.5Al0.5Hy hydride phase （y = 5.0, 6.0） have been investigated by using full-potential linearized augmented plane wave method. The hydrogen atoms were found to prefer the 6m, 12o and 12n sites, while no 4h sites were occupied. A narrowed Ni-d band is found due to the lattice expansion, the total density of states at EF increases with y, which indicates that the compounds become less stable. The interaction between Al and Ni, H plays a dominant role in the stability of LaNi4.5Al0.5 hydride phase. The smaller the shift of EF towards the higher energy region, the more stable the compounds will be. The obtained results are compared with experimental data and discussed in the light of previous works.     

A controlled quantum teleportation scheme of an N-particle unknown state via three-particle W1 states

In this paper a controlled quantum teleportation scheme of an N-particle unknown state is proposed when N groups of three-particle W1 states are utilized as quantum channels. The quantum information of N-particle unknown state is transmitted from the sender to the recipient under the control of all supervisors. It can be realized with a certain probability. After the sender makes Bell-state measurements and the supervisors perform the computational basis measurements, the recipient will introduce auxiliary particles and carry out unitary transformations depending on classical information from the sender and the supervisors. Finally, the computational basis measurement will be performed by the recipient to confirm whether the teleportation succeeds or not. The successful completion of the scheme relies on all supervisors＇ cooperation. In addition, the fidelity and security of the scheme are discussed.     

Multiple ionization of argon accompanied by electron loss and capture of 0.22-6.35 MeV C^q＋ ions

In this paper a projectile ions recoil ions coincidence technique is employed to investigate the target ionization and projectile charge state changing processes in the collision of 0.22-6.35 MeV Cq^＋ （q = 1 - 4） ions with argon atoms. The partial cross section ratios of the double, triple, quadruplicate ionization to the single ionization （or the single capture） of argon associated with single electron loss （or single electron capture） by the projectile are measured and compared with the previous experimental results. In the present experiment, it is observed that the ratios of ionization cross sections R associated with single loss and single capture depend strongly on the projectile charge state and vary significantly with different reaction channels as impact energy increases. In addition, this paper gets empirical scaling laws for the ionization cross section ratios R corresponding to the projectile single loss and finds that the ratios of the double ionization to the single ionization associated with single electron capture remain constant in the present energy range.     

高性能MgB2长线材制备及性能表征

采用原位粉末装管工艺,分别以Mg粉(99.5%),无定形B粉(99.9%)为原料,以纳米SiC(10-30 nm)作为掺杂材料制备铁基MgB2线.首先将已混合的原料在丙酮介质中球磨,真空干燥后,将粉末填入铁管内,然后通过孔型轧制、旋锻和拉拔等冷加工工艺得到11 m长外径Ф1.75 mm铁基MgB2超导线.用扫描电镜,电子能谱,X射线衍射仪和超导量子干涉仪测试发现,样品微观结构整齐,晶粒大小均匀,内部仅含微量MgO,TC(onset)= 35.1 K,ΔTC＝5.3 K.纳米SiC掺杂后,其中C造成MgB2晶格畸变,形成有效磁通钉扎中心,C元素在MgB2中分布均匀.标准四引线测试结果表明,11 m线均分10段后,各点的Jc(4.2 K,10 T)均超过1.0×104 A/cm2,最高值达到1.2×104 A/cm2.在10-18T范围各点临界电流值分布均匀,变化率小于10%.     

Characteristic of high-organized PS/BPS photonic crystals

B2O3-P2O5-SiO2 (BPS) three-dimensional (3D) high-organized polystyrene (PS) opals and inverse opals with large domain were fabricated and characterized.     

Multiparty-controlled quantum secure direct communication

A theoretical scheme of a multiparty-controlled quantum secure direct communication is proposed. The supervisor prepares a communication network with Einstein-Podolsky-Rosen pairs and auxiliary particles. After passing a security test of the communication network, a supervisor tells the users the network is secure and they can communicate. If the controllers allow the communicators to communicate, the controllers should perform measurements and inform the communicators of the outcomes. The communicators then begin to communicate after they perform a security test of the quantum channel and verify that it is secure. The recipient can decrypt the secret message in a classical message from the sender depending on the protocol. Any two users in the network can communicate through the above processes under the control of the supervisor and the controllers. The text was submitted by the authors in English.     

毕奥-萨伐尔定律的教学研究

分析了毕奥-萨伐尔定律的引入方式，提出了以围绕学生提出课题、参与定律发现过程、提炼物理思想和物理方法为中心的培养学生创新思维与探究能力的教学方案．     

Polar oscillation and dispersion properties of quasi-confined optical phonon modes in a wurtzite GaN/AlxGa1−xN nanowire

Under the dielectric continuum model and Loudon’s uniaxial crystal model, the properties of the quasi-confined (QC) optical phonon dispersions and the electron-QC phonons coupling functions in a cylindrical wurtzite nanowire are deduced via the method of electrostatic potential expanding. Numerical computations on a GaN/Al_0.15Ga_0.85N wurtzite nanowire are performed. Results reveal that, for a definite axial wave number k_z and a certain azimuthal quantum number m, there are infinite branches of QC modes. The frequencies of these QC modes fall into two regions, i.e. a high frequency region and a low frequency region. The dispersion of the QC modes are quite apparant only when k_z and m are small. The lower-order QC modes in the higher frequency region play more important role in the electron-QC phonon interactions. Moreover, for the higher-order QC modes in the high frequency region, the electrostatic potentials “escaping” out of the well-layer material nearly could be ignored.