Polarized neutron diffraction and its application to spin density studies 极化中子衍射及在电子自旋密度研究中的应用
Gap Symmetry; Spin Fluctuation; Local Density of States. 能隙对称性;自旋涨落;局域态密度。
On the basis of optimized geometries, the charge densities, spin density, bond orders and electronic spectra of above molecule and cation have been calculated. 以优化构型为基础计算其电荷密度、自旋密度、键序和电子光谱。
Any element-specific physical signal can be exploited for the identification of atoms in the material, these are the atomic mass, electronic energy levels, nuclear spin and even the local electronic density of states at surface, etc. 任何具有元素特征的物理信息,包括原子量、电子的能级、原子核自旋,甚至局域的电子态密度等都可以用来做材料的化学分析。
The Hartree Fock method and the hybrid density functional method were used to study the charge and spin density of CaCuO_2. The significant two dimensional character of the electronic structure of the CuO_2 plane was observed. 采用杂化密度泛函方法和哈垂-福克方法对CaCuO2的电荷与自旋密度的分布进行了研究.CuO2层的电子结构具有明显的二维特征。
Methods Using the basic MRI parameters such as spin density ρ, relaxation time T2 and T1, and the common clinic SE sequences and LR fitting method, quantitative maps were obtained, and the feasibility of pathway was described. 方法利用最基本的磁共振参数,自旋密度ρ、弛豫时间T1、T2以及临床自旋回波序列、线性回归拟合方法得到定量maps,以探索所执行的路线。
If the nitrating agent is the O3-NO2 system, free aromatic cationic radicals would be formed and the spin density of each carbon atom is the determining factor of product distribution. O3-NO2体系的硝化反应中,产生了游离的芳烃正离子自由基(ArH~+),其产物分布决定于ArH~+上的自旋密度分布。
Effect of charge density wave and spin density wave on the third harmonic generation in MX complex MX络合物中电荷密度波和自旋密度波对三次谐波产生系数的影响
The results show that the inter-site electron& electron Coulomb repulsion leads to transfers of charge density and spin density between different sites on the main chain and side radicals. 结果表明,格点间的电子&电子Coulomb排斥相互作用将导致电荷密度和自旋密度在系统的主链不同格点及侧自由基之间转移;
Calculations of nucleon densities, kinetic energy densities, spin densities and charge density with shell model for~ ( 40) ca ~(40)Ca的核子密度、动能密度、自旋密度和电荷密度的壳模型计算
Theoretical calculation for AMX spin system with density operators is given and coincides with the results of experiments. 在一般谱仪上容易实现,用密度算符理论对AMX体系进行理论计算,实验结果与理论预期相符。
The Effect of Spin Density Wave on 2+ 1 Dimensional BCS-type Superconductors with the Next Nearest Neighbor Interaction 自旋密度波对有次近邻互作用超导体的影响
The spin density of free radical mostly concentrates on C2 or C3 and has no large diffusion. They are the key part of reactivity. 自由基自旋密度主要集聚在C2或C3上,未有较大弥散,同时也是前线MO主要布居位置和重要的反应活性部位。
Further study of energy momentum tensor density and spin density of gravitational field with torsion THE RENORMALIZED VACUUM STRESS-ENERGY TENSOR OF de SITTER SPACE-TIME 有挠引力场之能动张量密度及自旋密度的再研究DeSitter时空中的真空能动张量
Quantitative magnetic resonance imaging of spin density ρ, relaxation times T1 and T2 自旋密度ρ、弛豫时间T1和T2定量磁共振成像
Moreover, the influences of the non-nearest neighbor hopping interactions and electron-phonon coupling on the distribution of the charge density and spin density are also discussed. 此外,对系统中的电荷密度和自旋密度分布受非最近邻电子跳跃相互作用和电-声耦合的影响情况亦进行了讨论。
From the data of total energy, Ligand-field splitting, transferred spin density and strength of π donor-bond, it is found that the geometry of Mn ( H_2O)_6~ ( 2+) should belong to T_h point group. 从总能量、配体场分裂、迁移自旋密度数据和π键形成的强度确定它应是属于Th点群。
Based on a theoretical model for interchain coupled quasi-one-dimensional organic ferromagnet, the charge density wave ( CDW) and spin density wave ( SDW) that exist in the system are investigated. 基于考虑链间耦合的准一维有机铁磁体的理论模型,对存在于系统内的电荷密度波(CDW)和自旋密度波(SDW)进行了研究。
Magnetic Properties and Spin Density Maps for Rare Earth-Transition Metal Complexes: A Density Functional Study 密度泛函理论方法研究稀土-过渡金属化合物的磁性和自旋密度图
Considering the inter-site electron-electron Coulomb repulsion and non-nearest neighbor hopping interactions, we investigate the distribution of charge density and spin density in an interchain coupled quasi-one-dimensional organic ferromagnet. 考虑格点间的电子&电子Coulomb排斥及非最近邻电子跳跃相互作用,对具有链间耦合的准一维有机铁磁体系统的电荷密度和自旋密度的分布进行了研究。
The Superconducting Transition Temperature of 2+ 1 Dimensional BCS-type Superconductor in the Presence of the Spin Density Wave 2+1维BCS型超导体的相变温度与自旋密度波的关系
Atomic structures of titanium trimer have been obtained at different spin multiplicities by means of density functional theory ( DFT) method. Also, vibrational frequencies of corresponding atomic structures were calculated. 基于密度泛函理论,获得了钛三聚体在不同自旋多重度下的原子结构,并计算了对应的振动频率。
The magnetic order of a special quasi-one-dimensional Heisenberg antiferromagnetic spin model with numerical density matrix renormalization groups is discussed. The ground energy per unit cell, spin correlation function and the spin gap are calculated. 利用数值密度矩阵重整化群方法对一种特殊的准一维海森堡反铁磁自旋系统的基态磁性序问题进行研究,计算了单个晶胞的基态能、自旋关联函数以及自旋能隙。
Adopts a simplified projection reconstruction technique, and obtains a 2D spin density imaging of the cross section of a mouse's tail. Discusses imaging errors of analogue sample and proposes some methods for limitation and correction of these errors. 采用简化的投影重建成象方法,获得了白鼠尾巴截面的二维自旋密度成象,分析了模拟样品成象的误差并提出了校正和减小某些误差的方法。
It is shown within the Skyrme-Hartree-Fock framework that there is the ferromagnetic phase transition in the isospin asymmetric nuclear matter at some density, above which the nuclear matter becomes stable against spin fluctuation, and the critical density for the ferromagnetic transition decreases with increasing the asymmetry parameter. 结果表明:在SkyrmeHartreeFock框架内,同位旋非对称核物质会发生从非极化态到极化态的相变,而且发生相变的临界密度随同位旋非对称度增大而降低。
As both of these two degrees of freedom transport with electrons, another spin channel is formed in semiconductors. As a result, the density and velocity of the transported information will be greatly improved. 由于自旋和电荷是同时伴随着电子的输运而传输的,这样就在半导体中并行了一个自旋信息通道,因此,这样会大大提高信息的传输密度和信息处理的速度。
The analysis of the spin density distribution reveals that both the spin polarization and spin delocalization contribute to the antiferromagnetic interaction. 自旋密度分布表明,两相中自旋极化效应和自旋离域效应相互作用的结果导致体系表现为反铁磁相互作用。
Previous studies focused on the exploitation of magnetic mechanism as well as effects of electron-electron correlation and boundary conditions on spin density wave in such material. 之前,这方面的理论工作主要集中于对磁性分子磁性机制的理解,包括对电子&电子关联,自旋密度波以及边界效应的研究。
Doping can excite a charge density wave weakening the spin density wave against the stability of the ferromagnetic state. 掺杂能激发电荷密度波,从而削弱了自旋密度波,最终不利于铁磁态的稳定。