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101.
Interaction and local magnetic moments of metal phthalocyanine and tetraphenylporphyrin molecules on noble metal surfaces 下载免费PDF全文
In order to understand the Kondo effect observed in molecular systems, first-principles calculations have been widely used to predict the ground state properties of molecules on metal substrates. In this work, the interaction and the local magnetic moments of magnetic molecules (3d-metal phthalocyanine and tetraphenylporphyrin molecules) on noble metal surfaces are investigated based on the density functional theory. The calculation results show that the dz2 orbital of the transition metal atom of the molecule plays a dominant role in the molecule-surface interaction and the adsorption energy exhibits a simple declining trend as the adsorption distance increases. In addition, the Au(111) surface generally has a weak interaction with the adsorbed molecule compared with the Cu(ll 1) surface and thus serves as a better candidate substrate for studying the Kondo effect. The relation between the local magnetic moment and the Coulomb interaction U is examined by carrying out the GGA+U calculation according to Dudarev's scheme. We find that the Coulomb interaction is essential for estimating the local magnetic moment in molecule-surface systems, and we suggest that the reference values of parameter U are 2 eV for Fe and 2-3 eV for Co. 相似文献
102.
Using quantum mechanics GASTEP software package based on the first principle density function theory, the electronic structure and optical properties of Ga1−xAlxAs at different Al constituent are calculated. Result shows that with the increase of Al constituent, the band gap of Ga1−xAlxAs increases and varies from direct band gap to indirect band gap; the absorption band edge and the absorption peak move to high-energy side; the static reflectivity decreases. With the increasing of the incident photon energy, Ga1−xAlxAs shows metal reflective properties in certain energy range. With the increasing of Al constituent, static dielectric constant decreases and the intersection of dielectric function and the x-axis move towards high-energy side; the peak of energy loss function move to low-energy side and the peak value reduces. 相似文献
103.
Impacts of air pressure on the evolution of nanosecond pulse discharge products 总被引:1,自引:0,他引:1 下载免费PDF全文
Based on the nonequilibrium plasma dynamics of air discharge, a dynamic model of zero-dimensional plasma is established by combining the component density equation, the Boltzmann equation, and the energy transfer equation. The evolution properties of nanosecond pulse discharge (NPD) plasma under different air pressures are calculated. The results show that the air pressure has significant impacts on the NPD products and the peak values of particle number density for particles such as O atoms, O3 molecules, N2(A3) molecules in excited states, and NO molecules. It increases at first and then decreases with the increase of air pressure. On the other hand, the peak values of particle number density for N2(B3) and N2(C3) molecules in excited states are only slightly affected by the air pressure. 相似文献
104.
A novel near-infrared (NIR) downconversion (DC) phosphor KSrPO4 :Eu2+ , Pr3+ is synthesized by the conventional high temperature solid-state reaction. The Eu2+ acts as an efficient sensitizer for Pr3+ in the KSrPO4 host. With broad-band near-ultraviolet light excitation induced by the 4f→5d transition of Eu2+ , the characteristic NIR emission of Pr3+ , peaking at 974 nm and 1019 nm due to 3P0 → 1G4 and 1G4 → 3H4 transitions, is generated as a result of the energy transfer from Eu2+ to Pr3+ . The luminescence spectra in both the visible and the NIR regions and the decay lifetime curves of Eu2+ prove the energy transfer from Eu2+ to Pr3+ . This Eu2+ and Pr3+ co-doped KSrPO4 phosphor may be a promising candidate to modify the spectral mismatch behavior of crystalline solar cells and sunlight. 相似文献
105.
According to the characteristics of coherent structures in near-wall turbulence, an accurate extraction and verification method is developed based on wavelet transform (WT) and correlation analysis in this paper. At first, the fluid field of a turbulent boundary layer is measured precisely in a gravitational low-speed water tunnel. On the basis of the distribution of the coherent structures, velocity data of three test points are selected and analyzed, whose dimensionless heights are 20.8, 33.5, and 42.6. According to the frequency range of power spectrum density (PSD), coherent and incoherent structures are both extracted from the original signals using continuous and orthogonal wavelet transforms. To confirm the validity of the extracted signals, the probability density function (PDF) of each extracted signal is calculated. The result demonstrates that the incoherent structures obey the Gaussian distribution, while the coherent structures deviate from the Gaussian distribution. The PDFs of the coherent structures and the original signals are similar, which shows that the coherent structures make most contributions to the turbulence. For further verification, a correlation parameter between coherent and incoherent structures is defined, which evidently proves the validity of the extraction method in this paper. 相似文献
106.
After the laser was invented in 1960, a phase conjugation mirror has been respected to be the most fantastic one for the laser
resonator composition because it can compensate any distortions of the laser beams occurred by the many inhomogenuities of
the laser media and optical components. Among the many phase conjugation configurations, the stimulated Brillouin scattering
phase conjugation mirror is the most simple one and many researchers have tried to utilize it to develop high power/energy
laser systems. For realizing a high energy/power laser system the thermal problem is the most difficult to solve, and some
researchers suggested a beam combination technique to reduce the thermal load of the big laser media to many small sized ones.
To accomplish the beam combination using stimulated Brillouin scattering phase conjugation mirrors (SBS-PCMs), it is necessary
to lock/control the phases of the SBS-PCMs. And some researchers have developed several ways for it, but they can lock the
phases of a limited number of beams overlapped at the foci less than 5, or lock the phases by back-seeding technique but it
loses the phase conjugation characteristics. For realization of the laser fusion driver, it is necessary to combine more than
10 or 100 beams. And the authors have developed recently a new phase controlling/locking technique which is isolated and independent
totally from other beams and it can be applied to an unlimited number of beams in principle. 相似文献
107.
飞机驾驶杆LVDT(线性位移差分变压器)传感器信号测试校正在航空测控研究领域具有十分重要的意义,提出了一种针对某型飞机驾驶杆LVDT传感器信号精确调理校正方法;介绍了飞机驾驶杆LVDT传感器原理,分析了AD598 LVDT调理芯片的使用局限,利用最小二乘法设计了精确调理校正方法;基于VC++2010开发环境,利用高精度的模拟校正源产生模拟激励校正信号,设计了驾驶杆LVDT多通道软件自校正方法,它可以有效提高解调电路的线性度和对称性,克服了AD598常规调理电路的使用局限,从而实现驾驶杆LVDT信号精确检测;理论分析与数值试验验证了所提方法的正确性和有效性。 相似文献
108.
109.
采用微波电子回旋共振等离子体化学气相沉积(MWPECRCVD)方法,使用不同的源气体(CHF3CH4,CHF3C2H2,CHF3C6H6)体系制备了aC∶F∶H薄膜.由于CH4,C2H2,C6H6气体在等离子体中的分解反应不同导致了薄膜的沉积速率和结构上的差异.红外吸收谱的结果表明,用C6H6CHF3作为源气体沉积的薄膜中几乎不含H,而用C2H2CHF3所沉积的薄膜中的含氟量最高,其相应的CF振动峰位向高频方向偏移.薄膜的真空退火结果表明,aC∶F∶H薄膜的热稳定性除了取决于薄膜的CC键浓度外,还与CC键
关键词:
氟化非晶碳膜
电子回旋共振化学气相沉积
红外吸收光谱 相似文献
110.