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21.
22.
We report the results of our investigation of magnetization and heat capacity on a series of compounds CeYxNiGe2 () under the influence of external magnetic field. Our studies of the thermodynamic quantity on these compounds indicate that magnetic frustration persists in Ce0.9Y0.1NiGe2, as also reported for the parent compound CeNiGe2. The weak signature of this frustration is also noted in Ce0.8Y0.2NiGe2, whereas, it is suppressed in Ce0.6Y0.4NiGe2. Heat capacity studies on Ce0.9Y0.1NiGe2 and Ce0.8Y0.2NiGe2 indicate the presence of a new magnetic anomaly at high field which indicates that quantum criticality is absent in these compounds. However, for Ce0.6Y0.4NiGe2 such an anomaly is not noted. For this later compound, the magnetic field (H) and temperature (T) dependence of heat capacity and magnetization obey scaling above critical fields. However, the obtained scaling critical parameter (δ) is 1.6, which is away from mean field value of 3. This deviation suggests the presence of unusual fluctuations and anomalous quantum criticality in these compounds. This unusual fluctuation may arise from disorderness induced by Y-substitution. 相似文献
23.
A microscopic cluster model with a fully correlated Gaussian basis is developed. In the model, the stochastic variational method is used in order to calculate the ground-energy and the mean-square radius conveniently. Based on this model, the ground-energy level and radius of the neutron halo nucleus, <'6>He, are calculated as a α+n+n three-cluster model. The results are in good agreement with the experimental data. 相似文献
24.
Makoto Hatakeyama Takako Mashiko Hisanao Hazama Kunio Awazu Masanori Tachikawa 《International journal of quantum chemistry》2013,113(2):125-129
To investigate the correlation between the wavelength dependence of ionization threshold fluence of target molecule in matrix‐assisted laser desorption/ionization by infrared (IR) laser and the IR absorption spectrum of matrix molecule, we have analyzed the IR absorption spectra of four matrix molecules using density functional theory and correlated ab initio molecular orbital method. The calculated IR absorption spectra of the isolated molecules showed more qualitative correlation with the wavelength dependence of ionization threshold fluence than those of the solid state structures. We can consider that a portion of matrix molecules lost the ordered crystal structure and that the transition to the diluted or isolated state occurred at the early process of IR laser irradiation. © 2012 Wiley Periodicals, Inc. 相似文献
25.
以电耦合的Terman-Wang小世界神经元网络系统为研究对象, 研究了空间关联白噪声影响下神经元网络系统的同步动力学. 首先将动力学平均场近似理论扩展到受空间关联白噪声影响下的小世界网络系统中, 将描述网络系统动力学演化的2N维随机微分方程简化为11个确定性的矩微分方程. 其次, 基于动力学平均场近似理论所推导的矩方程, 讨论了空间关联噪声、网络结构参数对神经元网络系统同步动力学的关键影响, 发现较大的噪声空间关联系数、耦合强度及节点平均度均对神经元网络系统同步放电具有积极作用. 进一步地, 利用计算机仿真数值模拟原神经元网络系统的同步动力学, 并与基于动力学平均场近似理论所得到的结果进行比较, 发现二者具有较好的一致性. 相似文献
26.
We study a spin structure that arises in a one‐dimensional quantum dot with zero total spin under the action of a charged tip of a scanning probe microscope in the presence of a weak magnetic field. The evolution of spin structure with changing the probe position is traced to show that the movable probe can be an effective tool to manipulate the spin. The spin structures are formed when the probe is located in certain regions along the dot due to Coulomb interaction of electrons as they are redistributed between the two sections in which the quantum dot is divided by the potential barrier created by the probe. There are two main states: spin‐polarized and non‐polarized ones. The transition between them is accompanied by a spin precession governed by the Rashba spin–orbit interaction induced by the electric field of the probe. In the transition region the spin density changes strongly while charge distribution remains nearly unchanged. (© 2015 WILEY‐VCH Verlag GmbH &Co. KGaA, Weinheim) 相似文献
27.
28.
High‐performance liquid chromatography coupled with photodiode array detection has been extensively applied in many fields and the peaks among the analyzed samples can be shifted due to the variations of instrumental and experimental conditions. In multivariate analysis, retention time alignment is an important pretreatment step. Hence, the shifted peaks in high‐performance liquid chromatography coupled with photodiode array detection three‐dimensional spectra should be aligned for further analysis. Being motivated by this purpose, the interval correlated shifting method combined with the proposed data arrangement methods are recommended and employed on high‐performance liquid chromatography coupled with photodiode array detection data as a demonstration. We validate the alignment performance of the proposed method through comparison the consistency of the retention time before and after alignment. The obtained results demonstrated that the proposed method is capable of successful aligning the employed data. Additionally, the interval correlated shifting method combined with the data arrangement modes is implemented in an easy‐to‐use graphical user interface environment and so can be operated easily by users not familiar with programming languages. 相似文献
29.
One of the long standing problems in quantum chemistry had been the inability to exploit full spatial and spin symmetry of an electronic Hamiltonian belonging to a non‐Abelian point group. Here, we present a general technique which can utilize all the symmetries of an electronic (magnetic) Hamiltonian to obtain its full eigenvalue spectrum. This is a hybrid method based on Valence Bond basis and the basis of constant z‐component of the total spin. This technique is applicable to systems with any point group symmetry and is easy to implement on a computer. We illustrate the power of the method by applying it to a model icosahedral half‐filled electronic system. This model spans a huge Hilbert space (dimension 1,778,966) and in the largest non‐Abelian point group. The C60 molecule has this symmetry and hence our calculation throw light on the higher energy excited states of the bucky ball. This method can also be utilized to study finite temperature properties of strongly correlated systems within an exact diagonalization approach. © 2011 Wiley Periodicals, Inc. Int J Quantum Chem, 2012 相似文献
30.
Jin-cheng ZHENG 《Frontiers of Physics in China》2008,3(3):269-279
By converting waste heat into electricity through the thermoelectric power of solids without producing greenhouse gas emissions,
thermoelectric generators could be an important part of the solution to today’s energy challenge. There has been a resurgence
in the search for new materials for advanced thermoelectric energy conversion applications. In this paper, we will review
recent efforts on improving thermoelectric efficiency. Particularly, several novel proof-of-principle approaches such as phonon
disorder in phonon-glass-electron crystals, low dimensionality in nanostructured materials and charge-spin-orbital degeneracy
in strongly correlated systems on thermoelectric performance will be discussed.
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