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991.
992.
应用群论及原子分子反应静力学方法推导了TiO分子基态(X3Δr)的离解极限.采用不同的计算方法,包括密度泛函B3LYP,B3P86,BP86,B3PW91和MP2,MP4方法,结合不同基组计算了TiO分子基态的平衡核间距、能量和振动频率.研究表明,使用B3LYP方法,对O原子使用6-311+G基组,Ti原子使用6-311+ +G**基组时计算得到的平衡几何结构、分子离解能和谐振频率与实验值符合得最好.使用优选出的方法和基组对T
关键词:
TiO
势能函数
光谱常数
密度泛函理论 相似文献
993.
用坩埚下降法(Bridgman)生长出了Bi离子掺杂的CdWO4单晶.测定了晶体不同部位的吸收光谱、发射光谱和X射线电子能谱(XPS).Bi离子的掺入引起CdWO4晶体的吸收边从345 nm红移到399 nm.在311 nm, 373 nm,808 nm和980 nm光的激发下,分别观测到中心波长为470 nm,528 nm,1078 nm和较弱的1504 nm四个不同发射带.Bi:CdWO4单晶的XPS谱分别与Bi2
关键词:
Bi离子
荧光光谱
X射线电子能谱
4单晶')" href="#">CdWO4单晶 相似文献
994.
995.
基于声子相干态功效和计及声子压缩态非经典效应,研究了电子-磁振子和电子-声子相互作用对一维介观环持续电流的影响. 与自由环比较,由于电子-磁振子相互作用,持续电流的振幅呈现指数减小. 对于正常态电子,电子-声子相互作用导致持续电流以Debye-Waller(D-W)因子衰减.但是计入跳步电子-单声子相干态关联效应导致系统本征态能量大幅度下降,从而持续电流In有大幅度增加.另一方面计入双声子相干态行为,由于声子压缩态效应压缩电子-相干(态)声子弹性散射行为,导致电子绕环运
关键词:
持续电流
电子-声子相互作用
声子相干态
声子压缩态效应 相似文献
996.
The controllable behavior of optical Tamm state (OTS) is investigated in a heterostructure with nematic liquid crystal (NLC). By changing the external fields (electric field and temperature), the orientation of NLC’s molecules can be modified. It offers us an effective way to control the optical properties of the optical Tamm state. We obtain the critical condition for the appearance of the optical Tamm state. Our theoretical analysis and numerical simulations show that through choosing appropriate parameters we can not only change the frequency position of the optical Tamm state, but also realize the disappearance of the OTS. 相似文献
997.
Zhanwei Xu Huijuan Luo Huihui Sun Qinglin Zhang Gaoxiang Cao Kezhi Li 《Solid State Communications》2011,151(8):643-646
Graphite nanosheets (GNs) doped with N, Fe, or Ni were synthesized by pyrolysis of metal tetrapyridinoporphyrazine (MPTpz, M=Fe2+, and Ni2+) and a mixture of MPTpzs in a chemical vapor deposition furnace. The products obtained were characterized by scanning and transmission electron microscopy, and X-ray photoelectron spectroscopy. The magnetic properties of the GNs obtained were investigated at room temperature using a vibrating sample magnetometer with an applied field of −10 000-10 000 Gs. The results show the GNs obtained are terrace-like and ultra-thin, with very high aspect ratio. Fe, Ni and N atoms have been doped to the GNs successfully. There are two types of N atom that are introduced into pure carbon systems: pyrinidic and graphitic N atoms. The GNs obtained exhibit ferromagnetic behavior at room temperature. Sample S1, obtained by pyrolysis of a mixture of MPTpzs (M=Fe2+ and Ni2+), have the highest coercivity force. The saturation magnetization (Ms), remanent magnetization (Mr), and coercivity (Hc) values of sample S1 are 24.51 emu g−1, 3.95 emu g−1, and 207.34 Gs, respectively. 相似文献
998.
Luyan Li Yahui Cheng Weihua Wang Shiwei Ren Yitong Yang Xiaoguang Luo Hui Liu 《Solid State Communications》2011,151(21):1583-1587
The ferromagnetic properties of Mn- and Co-doped Cu2O with copper and oxygen vacancies (VCu and VO) are studied by first-principles calculations. The results indicate that Mn-doped Cu2O has an antiferromagnetic state in the near configuration, while it has a ferromagnetic state for the far configuration. On the contrary, Co-doped Cu2O possess a ferromagnetic state regardless of the distance between the two Co atoms. The observed ferromagnetism can be attributed to the 90° ferromagnetic super-exchange mechanism. The presence of VO can enhance the ferromagnetism, whereas VCudepresses it. 相似文献
999.
We report the demonstration of electro-optical tunable time delay and advance using a silicon feedback-microring resonator integrated with p-i-n diodes. By controlling the feedback and round-trip phase shifts through the carrier-injection-based free-carrier dispersion effect, we obtain a large dynamic time tuning range (-88 ps to 110 ps) upon dc bias voltage change in the range of few tens of millivolts at a given resonance wavelength. We also demonstrate tunable time delay and advance at different resonance wavelengths within 0.76 nm wavelength range. 相似文献
1000.
In this Letter, we experimentally studied the propagation dynamics of Airy beams (AiBs) carrying phase singularity or an optical vortex (OV). A 3/2 phase mask encoded with phase singularity was used to generate AiBs and OVs enjoying precise position alignment and compact optical configuration simultaneously. Experimental results showed that the OV deflection velocity was faster than that of the main lobe of the AiB, agreeing with the analytical prediction. Numerical simulation results are also in agreement with the experimental results. Furthermore, OVs with larger topological charges were also studied experimentally with the same approach. 相似文献