反铁磁Cr插入层对CoFe/MgO/CoFe磁性隧道结的隧穿磁电阻的影响

利用基于密度泛函理论和非平衡态格林函数的第一性原理计算研究了CoFe/MgO/CoFe磁性隧道结的隧穿磁电阻效应。给出了该隧道结隧穿磁电阻与偏压的依赖关系,并计算了平行结构与反平行结构相应的I-V特性曲线和传输谱。通过在一侧电极与势垒层之间插入反铁磁金属Cr层,观察到了隧穿磁电阻、电导随插入层Cr层数增加发生衰减和2个原子层周期的振荡现象,这主要是由于Cr拥有反铁磁结构,在Cr/MgO界面形成了与Cr磁矩取向相关的界面散射。     

Ce、N共掺杂锐钛矿相TiO2光学性能的第一性原理研究

采用密度泛函理论研究了Ce、N共掺杂锐钛矿相TiO2的电子结构、态密度和光学特性.计算结果表明,不同位置Ce、N共掺杂对TiO2的杂质形成能、带隙和光学性质是有影响的.共掺杂带隙比单掺杂TiO2的更窄,导致电子从杂质能级激发到导带的概率增大,这会提高共掺杂TiO2的光量子效率.Ce、N共掺杂后TiO2吸收带边红移至可见光区的更远处,光学吸收系数比单掺杂时更强,这主要是由Ce、N共掺杂的协同效应引起的.带边位置的计算结果表明掺杂TiO2的强氧化还原能力得到保持.因此,Ce、N共掺后TiO2在可见光区具有良好的光催化性能.     

核物质对称能和重离子碰撞中径向流阈能的同位旋效应

基于同位旋相关的量子分子动力学模型，采用三种不同形式的对称势，研究了¹²⁴Sn+¹²⁴Sn和¹²⁴Ba+¹²⁴Ba对心碰撞时在三种不同对称势下的径向膨胀流，发现径向膨胀流阈能与所采用的对称能形式密切相关，表现出明显同位旋效应，预示着径向膨胀流阈能的同位旋相关性可作为对称能的灵敏探针. 关键词： 径向膨胀流阈能 同位旋效应 重离子碰撞 同位旋相关的量子分子动力学模型     

Fragmentation Cross Sections of 12C on Different Targets at Beam Energies from 50 to 100MeV/Nucleon

The fragmentation cross sections of reactions ^12C＋^2H, ^12C, ^14N, ^16O at beam energies from 50 to 100 MeV/nucleon are investigated using the isospin-dependent Boltzmann-Langevin equation model. It is found that fragment species increase approximately with the increasing target mass. The fragment species and some fragments production cross sections in reactions of ^12C＋^12C, ^14N, ^16O show an obvious variation at the beam energies from 50 to 80 MeV/nucleon. However the calculated fragment production cross sections do not change much when the incident energy increases from 80 to 100 MeV/nucleon.     

熔合反应中入射道质量不对成度效应

The symmetric and asymmetric fusion reaction systems forming the same compound nuclei ^26Al, ^30Si, ^38Ar and ^170Hf are investigated with the frame of improved isospin dependent quantum molecular dynamics model. The entrance channel mass asymmetry dependence of compound nucleus formation is found by analyzing the shell correction energies, the Coulomb barriers and the fusion cross sections. The calculated fusion cross sections agree quantitatively with the experimental data. The results indicate that compound nucleus formation is favorable for the systems with larger mass asymmetry because of the smaller Coulomb contribution to the fusion barrier.     

Density-Functional-Theory Studies of C20 in Femtosecond Laser Pulses

We study the electron response of C20 excited by strong femtosecond laser pulses by applying the time-dependent local-density approximation, an approach which has proven to provide a robust tool for investigations of fullerene. The optical response as well as the full electronic dipolar response and ionization processes of C20 subject to the laser field are explored. A strong correlation between induced electronic dipole oscillations and electron emission is observed.     

反铁磁Cr插入层对CoFe/MgO/CoFe磁性隧道结的隧穿磁电阻的影响

利用基于密度泛函理论和非平衡态格林函数的第一性原理计算研究了CoFe/MgO/CoFe磁性隧道结的隧穿磁电阻效应。给出了该隧道结隧穿磁电阻与偏压的依赖关系,并计算了平行结构与反平行结构相应的I-V特性曲线和传输谱。通过在一侧电极与势垒层之间插入反铁磁金属Cr层,观察到了隧穿磁电阻、电导随插入层Cr层数增加发生衰减和2个原子层周期的振荡现象,这主要是由于Cr拥有反铁磁结构,在Cr/MgO界面形成了与Cr磁矩取向相关的界面散射。     

Isospin Effects of Threshold Energy of Radial Flow in Heavy Ion Collisions

The threshold energies of radial flow in reactions of ^40 Ca-^40Ca and ^48Ca＋ ^48Ca in central collisions are investigated within an isospin dependent quantum molecular dynamics model by using three different forms of symmetry energy. It is found that the neutron-rich system has smaller threshold energy of radial flow and this quantity depends on the form of symmetry potential. It is indicated that the threshold energy of radial flow can provide a new method to determine the symmetry energy of asymmetric nuclear matter.     

基于石墨烯电极的Co-Salophene分子器件的自旋输运

采用基于非平衡格林函数结合第一性原理的密度泛函理论的计算方法,研究了基于锯齿型石墨纳米带电极的Co-Salophene分子器件的自旋极化输运性质.计算结果表明,当左右电极为平行自旋结构时,自旋向上的电流明显大于自旋向下的电流,自旋向下的电流在[-1V,1V]偏压下接近零,分子器件表现出优异的自旋过滤效应.与此同时,在自旋向上电流中发现负微分电阻效应.当左右电极为反平行自旋结构时,器件表现出双自旋过滤和双自旋分子整流效应.除此之外,整个分子器件还表现出较高的巨磁阻效应.通过分析器件的自旋极化透射谱、局域态密度、电极的能带结构和分子自洽投影哈密顿量,详细解释该分子器件表现出众多特性的内在机理.研究结果对设计多功能分子器件具有重要的借鉴意义.     

Projected Shell Model Description for the Proton Emitters

Proton radioactivity is an important decay mode for nuclei near the proton drip-line. Studies of this decay mode can reveal valuable information on exotic nuclear structure and provide important information on the stucture of nuclei in extreme conditions. The new experimental data can let us understand the interactions in exotic systems, which motivate further theoretical development. The most recent application of the projected shell model (PSM) for proton emitters is represented. We study the rotational bands of the deformed proton emitter 141Ho by using the PSM. The experimental data are well reproduced. Strongly suppressed γ transition from the low-lying IΠ= 3/2+ state makes this state isomeric. Variations in the dynamical moment of inertia are discussed due to band crossings using the band diagram. The calculated results for proton emitter 151Lu shows it is oblately deformed