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151.
Theoretical investigations of the local distortion and electron paramagnetic resonance parameter for CdCl2:V2+ and CsMgX3:V<sup>2+(X=Cl,Br) systems 下载免费PDF全文
This paper systematically investigates the local distortion and electron paramagnetic resonance (EPR) parameter for CdCl 2 :V 2+ and CsMgX 3 :V 2+ (X=Cl, Br) systems on the basis of the complete energy matrix, in which not only the contributions due to the spin–orbit coupling of the central ions but also that of the ligands are considered. To describe the difference of overlapping between d-orbits and p orbit, two spin–orbit coupling coefficients are introduced. By simulating the crystal field parameter and EPR parameter, the local distortion parameters are studied and the relationships between the EPR parameter and the spin–orbit coupling coefficients as well as divergent parameter are discussed. These results show that the local structures exhibit compression distortion for CdCl 2 :V 2+ and elongation distortions for CsMgX 3 :V 2+ (X=Cl, Br), respectively. It notes that the empirical formula R ≈ R H + (r i-r h )/2 is not suitable for CdCl 2 :V 2+ and CsMgX 3 :V 2+ (X=Cl, Br) systems. The contributions of ligand to spin–orbit coupling interaction cannot be neglected for strong covalent systems, especially for V 2+ doped in CsMgBr 3 :V 2+ . 相似文献
152.
153.
Fengfeng Chi Yanguang Qin Shaoshuai Zhou Xiantao Wei Yonghu Chen Changkui Duan Min Yin 《Current Applied Physics》2017,17(1):24-30
In order to clarify the site occupancy of rare-earth ions in rare-earth doped perovskite materials, the un-doped pure CaTiO3 and Eu3+-doped CaTiO3 samples with a series of Ca/Ti ratio were synthesized via high-temperature solid-state reaction method. X-ray diffraction (XRD) powder patterns confirm that the crystal structure keeps invariant at various Ca/Ti ratios. Measurement results of unit-cell parameters and X-ray photoelectron spectroscopy (XPS) indicate that Eu3+ ions enter into the Ca2+ site. The high-resolution photoluminescence spectra of Eu3+ ions at 20 K in all samples did not witness a significant change under the excitation at different wavelength, implying that Eu3+ ions occupy only one type of site. Considering the small spectral splitting range of 5D0 → 7F2 transition and the large intensity ratio of 5D0 → 7F2/5D0 → 7F1, it can be concluded that Eu3+ occupies Ca2+ site with larger coordinate numbers rather than Ti4+ site. 相似文献
154.
Fen Wu Linyu Song Yiping Guo Song Jin Enbing Bi Han Chen Huanan Duan Hua Li Hezhou Liu Hongmei Kang 《Applied Physics A: Materials Science & Processing》2014,117(3):1301-1306
The photovoltaic (PV) effect of a bilayer anatase TiO2/BiFeO3 (BFO) film has been studied. The 20-nm ultrathin BFO layers were deposited on the fluorine-doped tin oxide (FTO) glass substrates by the chemical solution deposition method. An anatase TiO2 layer is deposited subsequently on the BFO surface via a screen-printing technique. It is found that the FTO/TiO2/Au cell exhibits negligible PV effect under solar exposure, while the one after introducing an ultrathin BFO film between TiO2 and FTO leads to a considerable PV effect with an open-circuit voltage of ?0.58 V and a photocurrent density of 18.27 µA/cm2. The FTO/BiVO4 (BVO)/TiO2/Au cell was constructed to investigate the underlying mechanism for the observed effect. A negligible PV effect of the FTO/BVO/TiO2/Au cell indicates that the PV effect of the FTO/BFO/TiO2/Au cell arises mainly from a built-in electric field in the BFO film induced by the self-polarization. Our work opens up a new path to utilize TiO2 and may influence the future design of solar cells. 相似文献
155.
For the first time we have presented a method to investigate the stability of quiescent state in a coupled laser array. By introducing tiny perturbation, stability of quiescent state can be known by investigating eigenvalues of coefficient matrix of the corresponding linear differential equations. Only when real parts of the eigenvalues were all negative or zero, the corresponding quiescent state is stable. Two tapes of coupled laser array with loop and linear topological structure were studied respectively. It was found that there were innumerable quiescent states and they could be divided into several types based on phase relation. Some types were stable and others were unstable. Topological structure affects the stability of quiescent state in a coupled laser array. 相似文献
156.
157.
An efficient 2?μm in-band pumped Ho:YAG laser was demonstrated. The resonator involves two Ho:YAG crystals, each of which was dual-end-pumped by two orthogonally polarized diode-pumped Tm:YLF lasers. The maximum continuous wave output power of 103?W was achieved, corresponding to a slope efficiency of 67.8% with respect to the incident pump power and an optical-to-optical conversion efficiency of 63.5%. Under Q-switched mode, we obtained 101?W laser output at 30?kHz, corresponding to a slope efficiency of 66.2%. The beam quality or M2 factor was found to be less than 2. 相似文献
158.
Using the standard reductive perturbation technique,a nonlinear Schroedinger equation is derived to study the modulational instability of finite-amplitude ion-acoustic waves in a non-magnetized warm plasma.It is found that the inclusion of ion temperature in the equation modifies the nature of the ion-acoustic wave stability and the soliton stuctures.The effects of ion plasma temperature on the modulational stability and ion-acoustic wave properties are inestigated in detail. 相似文献
159.
采用半经验的Gupta多体势结合遗传算法对ConCu55-n(n=0—55)混合团簇的基态结构和能量进行了研究,发现这些混合团簇的基态结构是在Co55,Cu55单质团簇(Mackay二十面体)的基础之上发生的畸变;从n=0(Cu55)开始,Co原子从中心到表面,从棱到顶点依次、连续替换Cu原子;基态结构与键能较大键的数目及其平均键长有关;Co13Cu42具有最稳定的结构,13个Co原子全部位于团簇内部形成Mackay二十面体对整个团簇的稳定性有显著影响.
关键词:
团簇
结构和能量
Gupta势
遗传算法 相似文献
160.
提出了一种曲折双脊波导慢波结构,理论分析了慢波结构的高频特性,并在此基础上设计了工作在Ka波段的曲折双脊波导行波管.利用三维粒子模拟软件MAGIC 3D建立了曲折双脊波导行波管模型,并对行波管中的注-波互作用进行了模拟分析.在相同工作条件下,分析比较了曲折双脊波导行波管和曲折波导行波管的各种性能参量,从中发现:在行波管增益峰值相近的情况下,曲折双脊波导行波管具有更好的带宽性能,其3 dB增益带宽为22%;同时具有更高的电子效率,其峰值接近9%. 相似文献