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91.
The crystal structure, magnetism properties, and density of states for FeAs layered compound SrFe2As2 have been investigated by using the density functional theory (DFT) method. The magnetism under a checkerboard nearest neighbor anti-ferromagnetic (NN AFM) and ferromagnetic (FM) order ground-state have been analyzed with substitution for Sr with K ion in Sr1−xKxFe2As2. The results indicate that the distortion of FeAs tetrahedrons is sensitive to the electron doping concentration. The system magnetism was suppressed by K doping in NN-AFM ground state instead of FM. The density of states at Fermi level N(EF) under NN AFM ground state would be regarded as a driving force for the increased Tc of Sr1−xKxFe2As2 system as observed experimentally. Our calculation reflects that NN AFM type spin fluctuation may still exist in the Sr1−xKxFe2As2 system and it may be an origin of strong spin fluctuation in this system besides the spin density wave (SDW) states. 相似文献
92.
潘瑞芹 《原子与分子物理学报》2011,28(6):1112-1116
采用基于BrennerⅡ势的非平衡态分子动力学方法,模拟研究了300K温度下经氢化学修饰的(10,0)单壁碳纳米管的热导率.研究显示功能化后碳管的热导率有明显减小,当有一列碳原子被氢化后(功能化程度为5%),碳管的热导率减小了大约1/3,为了进一步解释这种功能化对碳纳米管热导率的影响,计算了不同功能化程度下碳纳米管的声子谱. 相似文献
93.
Yi-Fan Chang Chih-Wei Guo Ting-Hao Chan Yi-Wen Pan En-Lun Tsou Wei-Chieh Cheng 《Molecular diversity》2011,15(1):203-214
The preparation of natural product-like polyhydroxylated pyrrolidine and piperidine alkaloids using a combination of solid–
and solution-phase organic synthesis is described. The key intermediates, enantiopure five- or six-membered tri-O-benzyl cyclic nitrones, were efficiently prepared on solid support from accessible chiral furanosides and pyranosides, respectively.
The substituent diversity was achieved by a diastereoselective addition of a variety of Grignard reagents to the cyclic nitrones
in solution-phase synthesis. All reaction steps and work-up procedures were modified to allow the use of automated equipment.
A 36-membered demonstration library with three diversity elements (core, configuration, and substituent) was prepared in good
yield and purity. 相似文献
94.
95.
We have developed a rigorous model for analyzing excess conduction loss in normal metals surface by using the spatial dispersion theory. We have used the model to account excess conduction loss and dissect the discrepancies between excess conduction loss measurements and classical theoretical predictions in normal metals surface below terahertz frequencies. Our analysis shows that the conductivity is not only frequency but also wave vector dependent. We demonstrate good quantitative agreement with the published experimental data for the room temperature excess conduction loss of normal metals surface below terahertz frequencies. 相似文献
96.
The supercurrent through a double Aharonov–Bohm interferometer formed by parallel-coupled four quantum dots is investigated theoretically. The possibility of controlling the supercurrent of the system is explored by tuning the interdot coupling, dot energy levels, and magnetic flux treading the ring connecting dots and leads. Whether the supercurrent sign can be changed depends not only on the magnetic flux but also on the quantum dot energy levels. By tuning the quantum dot energy levels, the behavior of the supercurrent shows swap effects, which might be used to design a qubit. It is also found that the oscillation period of the supercurrent with respect to the magnetic flux depends on the ratio of the two parts fluxes. 相似文献
97.
98.
全息波导显示系统中输出光栅的衍射效率、位置和长度对整个显示系统的光强输出均匀性及能量利用率有重要的影响.通常输出光强均匀性由输出光栅的衍射效率决定,能量利用率受多重光栅的位置和长度影响.本文以中心视场光束的输出光强均匀为目的,对相应输出光栅衍射效率的位置分布进行优化与曲线拟合,得到输出光栅衍射效率随输出位置连续递增的分布曲线,并应用到所有视场光束.计算结果表明,相比于传统阶梯状衍射效率分布输出光栅,全息波导显示系统中采用具有连续衍射效率分布输出光栅时的光强输出均匀性得到明显提升.针对部分衍射光束未能进入出瞳的现象,提出错位优化法,按照出瞳大小和使用距离优化各重输出光栅的位置和尺寸,减小了光栅的无效衍射区域,提高了出瞳范围内的能量利用率. 相似文献
99.
J.-J. Shi B.C. Sanders S.-H. Pan 《The European Physical Journal B - Condensed Matter and Complex Systems》1998,4(1):113-119
We calculate the electron-phonon scattering rate for an asymmetric double barrier resonant tunneling structure based on dielectric
continuum theory, including all phonon modes, and show that interface phonons contribute much more to the scattering rate
than do bulk-like LO phonons for incident energies which are approximately within an order of magnitude of the Fermi energy.
The maximum scattering rate occurs for incident electron energies near the quantum well resonance. Subband nonparabolicity
has a significant influence on electron-phonon scattering in these structures. We show that the relaxation time is comparable
to the dwell time of electrons in the quantum well for a typical resonant tunneling structure.
Received: 23 December 1997 / Revised: 24 March 1998 / Accepted: 9 March 1998 相似文献
100.
东方欧鳊(Abramis brama orientalis Berg)源于苏联咸海,我区伊犁河和额尔齐斯河均有分布,由于地理隔离的结果,两水系的东方真鳊已在形态学上出现了某些差异,为进一步探明二者间的亲缘关系,我们进行了鱼肉蛋白质含量、鱼肉氨基酸组成,LDH同工酶、血清蛋白等生化指标的比较研究,结果表明除了氨基酸组成及含量基本未发生变化外,其余三项指标均有显著不同,即说明两水系的东方欧鳊已出现种群间差异,至于是否已分化成两个不同的亚种,尚待进一步研究. 相似文献