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1.
We have studied the electronic structure of [6,6]-phenyl-C61-butyric-acid-methyl-ester (PCBM) using synchrotron radiation photoelectron spectroscopy (PES) measurements and first-principles calculations. The PES spectrum of the entire occupied valence band is reported, which exhibits abundant spectral features from the Fermi level to ~24 eV binding energy. All the spectral features are broadened as compared with the cases of C60. The reasons for the broadening are analysed by comparing the experimental data with the calculated energy levels and density of states. Special attention is paid to the analysis of the C60 highest occupied molecular orbital (HOMO)-1 derived states, which can play a crucial role in the bonding at the interfaces of PCBM/polymer blenders or PCBM/electrodes. Besides the well-known energy level splitting of the C60 backbone caused by the lowered symmetry, C 2p states from the side chain mix or hybridize with the molecular orbitals of parent C60. The contribution of the O 2p states can substantially modify the PES spectrum.  相似文献   
2.
An improved structure of silicon carbide metal-semiconductor field-effect transistors (MESFET) is proposed for high power microwave applications. Numerical models for the physical and electrical mechanisms of the device are presented, and the static and dynamic electrical performances are analysed. By comparison with the conventional structure, the proposed structure exhibits a superior frequency response while possessing better DC characteristics. A p-type spacer layer, inserted between the oxide and the channel, is shown to suppress the surface trap effect and improve the distribution of the electric field at the gate edge. Meanwhile, a lightly doped n-type buffer layer under the gate reduces depletion in the channel, resulting in an increase in the output current and a reduction in the gate-capacitance. The structural parameter dependences of the device performance are discussed, and an optimized design is obtained. The results show that the maximum saturation current density of 325 mA/mm is yielded, compared with 182 mA/mm for conventional MESFETs under the condition that the breakdown voltage of the proposed MESFET is larger than that of the conventional MESFET, leading to an increase of 79% in the output power density. In addition, improvements of 27% cut-off frequency and 28% maximum oscillation frequency are achieved compared with a conventional MESFET, respectively.  相似文献   
3.
The efficiency of the calculation of Green's function (GF) for nano-devices is very important because the calculation is often needed to be repeated countlessly. We present a set of efficient algorithms for the numerical calculation of GF for devices with arbitrary shapes and multi-terminal configurations. These algorithms can be used to calculate the specified blocks related to the transmission, the diagonals needed by the local density of states calculation, and the full matrix of GF, to meet different calculation levels. In addition, the algorithms for the non-equilibrium occupation and current flow are also given. All these algorithms are described using the basic theory of GF, based on a new partition strategy of the computational area. We apply these algorithms to the tight-binding graphene lattice to manifest their stability and efficiency. We also discuss the physics of the calculation results.  相似文献   
4.
By using the B3P86/aug-cc-pvtz method, the accurate equilibrium geometry of the AlSO (CS,X2A') molecule has been calculated and compared with available theoretical values. The obtained results show that the AlSO molecule has a most stable structure with bond lengths of ROAl=0.1864 nm, ROS =0.1623 nm, RAlS =0.2450 nm, together with a dissociation energy of 13.88 eV. The possible electronic states and their reasonable dissociation limits for the ground state of the AlSO molecule were determined based on the principle of atomic and molecular reaction statics. The analytic potential energy function of the AlSO molecule was derived by the many-body expansion theory and the contour lines were constructed for the first time, which show the internal information of the AlSO molecule, including the equilibrium structure and stable point. The analysis demonstrates that the obtained potential energy function of AlSO is reasonable and successful and the present investigations provide important insights for further study on molecular reaction dynamics.  相似文献   
5.
Li Wu  Fan Tian-You 《中国物理 B》2011,20(3):36101-036101
The fundamental plastic nature of the quasicrystalline materials remains an open problem due to its essential complicacy. By developing the proposed generalized cohesive force model, the plastic deformation of crack in point group 10,10 decagonal quasicrystals is analysed strictly and systematically. The crack tip opening displacement (CTOD) and the size of the plastic zone around the crack tip are determined exactly. The quantity of the crack tip opening displacement can be used as a parameter of nonlinear fracture mechanics of quasicrystalline material. In addition, the present work may provide a way for the plastic analysis of quasicrystals.  相似文献   
6.
WangTian-Yin  Wen Qiao-Yan 《中国物理 B》2010,19(6):60307-060307
We present a new fair blind signature scheme based on the fundamental properties of quantum mechanics. In addition, we analyse the security of this scheme, and show that it is not possible to forge valid blind signatures. Moreover, comparisons between this scheme and public key blind signature schemes are also discussed.  相似文献   
7.
Fan Hong-Yi 《中国物理 B》2010,19(5):50303-050303
By introducing the $s$-parameterized generalized Wigner operator into phase-space quantum mechanics we invent the technique of integration within $s$-ordered product of operators (which considers normally ordered, antinormally ordered and Weyl ordered product of operators as its special cases). The $s$-ordered operator expansion (denoted by $\circledS \cdots \circledS)$ formula of density operators is derived, which is $$\rho=\frac{2}{1-s}\int \frac{\d^2\beta}{\pi}\left \langle -\beta \right \vert \rho \left \vert \beta \right \rangle \circledS \exp \Big\{ \frac{2}{s-1}\left( s|\beta|^{2}-\beta^{\ast}a+\beta a^{\dagger}-a^{\dagger}a\right) \Big\} \circledS.$$ The $s$-parameterized quantization scheme is thus completely established.  相似文献   
8.
A simple scheme is proposed to generate the W state of N Λ-type neutral atoms trapped in an optical cavity via Raman transition. Conditional on no photon leakage from the cavity, the N-qubit W state can be prepared perfectly by turning on a classical coupling field for an appropriate time. Compared with the previous ones, our scheme requires neither individual laser addressing of the atoms, nor demand for controlling N atoms to go through an optical cavity simultaneously with a constant velocity. We investigate the influence of cavity decay using the quantum jump approach and show that the preparation time decreases and the success probability increases with atom number because of a collective enhancement of the coupling.  相似文献   
9.
This paper investigates the high frequency behaviours and magnetic anisotropy of rapidly solidified FINEMET (Fe73.5Si13.5B9Nb3Cu1) alloy ribbons annealed in an applied magnetic field. It finds that the ribbons annealed with the applied magnetic field show much higher resonance frequencies and have even higher permeability at higher frequencies than the samples annealed without the magnetic field and the non-annealed ribbons. M?ssbauer spectroscopy had been employed to study the spatial distribution of the magnetic moments of five selected FINEMET alloy ribbons in different heat-treated conditions. The results show that an easy plane has been established after annealling in the magnetic field, while for the other ribbons this effect is not significant. Hence, the relationship between magnetic field annealing and high frequency property has been bridged by the bianisotropic theory.  相似文献   
10.
Zn0.98Cu0.02O powders are prepared by the sol—gel method. A small number of CuO impurity phases are observed by the x-ray diffraction, indicating the solubility of Cu in ZnO is less than 2 at.%. The Zn0.98Cu0.02O powders exhibit diamagnetism at 300 K and paramagnetism at 5 K. After subtracting the diamagnetic contribution of ZnO bulk and the paramagnetic contribution of defects, Cu ions exhibit weak paramagnetism. By codoping Cu with Co or Mn in ZnO, only paramagnetism is observed at room temperature.  相似文献   
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