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Electronic and magnetic properties of Fe1-xCoxSi alloys were investigated by using a full-potential linear augmented-plane-wave method based on density functional theory. Electronic structure calculation demonstrates that half-metallic property appears in the Fe-rich region of 0 〈 x ≤ 0.25, while the alloys turn out to be a magnetic metal for x 〉 0.25. The concentration dependence of the magnetic moment of the alloys can be understood by the fixed Fermi level at minority band in Fe-rich region, as well as at the majority band in Co-rich region. In Fe-rich alloys, the electronic structure and the magnetic properties at Fe site depend mainly on the spin-polarization of nearest neighbouring Co atoms, while in Co-rich alloys, these features at Co site arise mainly from the neighbours of Fe atoms. 相似文献
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The title compound (C14H12N2O2,Mr=240.26) crystallizes in the monoclinic system,space group P21/a with a=7.394(1),b=21.334(3),c=7.423(1)A,β=89.82(1)A°,V=1170.8(3)A3,Z=4,Dc=1.363 g/cm3,μ(MoKα)=0.93 cm-1 and F(000)=504.00.The final R and wR are 0.0440 and 0.1370 for 2153 observed reflections (I>2σ(I)),respectively.The dihedral angle between the two phenyl rings is 52.9°and that between the NO2 group and its attached ring is 3.0°.In the crystal,molecules are stacked along [100] throughπ…πinteractions.The C-H…O hydrogen bond (3.403 A,120.4°) laterally connects the stacks along [010] to form networks (001) which are further anti-parallelly connected by C-H…O(3.382 A,142.9°) andπ…πinteractions extending along [001].Also presented here is a brief study on the C-H…O hydrogen bonds in nitro-substituted benzyl-ideneanilines which can be classified into five types,namely,R12(5)R21(4),R22(8),R12(6),andR22(7),with the first three occurring more often. 相似文献
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In the crystal structures of N-salicylidene-anilines, the ortho-OH group with the central N atom forms a planar six-membered ring through intramolecular hydrogen bonds (Fig. 1). The pseudo-aromatic ring is coplanar with its attached phenyl ring. The resonance strengthens the H-bond through proton transfer between the O and N atoms (Fig.1,Ⅰ←→Ⅱ): dco and dcc become shorter and dCN longer significantly. The d1~d6 are also changed regularly. According to the geometries obtained from X-ray analysis and retrieved from the Cambridge Structural Database (CSD, version 5.21), we believe that the main resonance, at least in solid state, is the molecular keto form (Ⅱ, Fig. 1) instead of the zwitterionic one (Ⅲ, Fig.1). 相似文献
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A new method to perform blind separation of chaotic signals is articulated in this paper, which takes advantage of the underlying features in the phase space for identifying various chaotic sources. Without incorporating any prior information about the source equations, the proposed algorithm can not only separate the mixed signals in just a few iterations, but also outperforms the fast independent component analysis(FastICA) method when noise contamination is considerable. 相似文献
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