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The effects of contact configurations on the rectification of dipyrimidinyl-diphenyl diblock molecular junctions

Chinese Physics B 2011年第12期20卷 389-394页

作者：张广平胡贵超李宗良王传奎 College of Physics and electronics Shandong Normal University

The transport properties of a conjugated dipyrimidinyl-diphenyl diblock oligomer sandwiched between two gold electrodes, as recently reported by [Diez-Perez et al. Nature Chem. 1 635 （2009）], are theoretically investigated using the fully self-consistent nonequilibrium Green＇s function method combined with density functional theory. Two kinds of symmetrical anchoring geometries are considered. Calculated current-voltage curves show that the contact structure has a strong effect on the rectification behaviour of the molecular diode. For the equilateral triangle configuration, pronounced rectification behaviour comparable to the experimental measurement is revealed, and the theoretical analysis indicates that the observed rectification characteristic results from the asymmetric shift of the perturbed molecular energy levels under bias voltage. While for the tetrahedron configuration, both rectification and negative differential conductivity behaviours are observed. The calculated results further prove the close dependence of the transporting characteristics of molecular junctions on contact configuration.

关键词： molecular electronic device rectification electronic transport property

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Magnetic and Electrical Behavior of MnTe_(1-x)Sb_x Alloys

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Journal of Materials Science & Technology 2011年第1期27卷 64-68页

作者： X.He Y.Q.Zhang Z.D.Zhang Shenyang National Laboratory for Materials Science Institute of Metal Researchand International Center for Materials PhysicsChinese Academy of SciencesShenyang 110016China

The structure,specific heat,magnetic and electrical properties of MnTe1-xSbx（x=0,0.1,0.15,0.2 and 0.25） alloys have been *** MnTe1-xSbx alloys crystallize in a hexagonal NiAs-type structure,and the impurity of MnSb phase appears when x≥*** MnTe0.9Sb0.1 compound exhibits ferrimagnetic behavior with hysteresis loops even at 350 K,showing that the magnetic properties of MnTe compound are very sensitive to little compositional *** ferromagnetism in the MnTe1-xSbx alloys with higher Sb contents may be attributed to the impurity of MnSb *** dispersive X-ray spectroscopy analysis on the MnTe0.9Sb0.1 compound indicates that Sb is very difficult to dope into the lattice of *** the anomaly of resistivity at 300 K of MnTe0.9Sb0.1 and the peak of specific heat around 304 K of all the alloys are thought to be related with the antiferromagnetic interactions of MnTe-based lattice.

关键词： electronic transport property Hysteresis loop Specific heat

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