几种半导体在高压下的状态方程、电阻输运性质与相变

研究半导体在高压下的物理性质,特别是导电性质的变化以及金属化相变,一直是人们很感兴趣的课题。进行这方面的研究对于进一步了解固体中原子间的相互作用、能带变化和导电机理等有重要的理论意义,而且对于探索具有特殊性能的新材料也有重要的指导意义。过去,人们已对固体(包括半导体)在高压下的状态方程、电阻输运性质和相变进行了广泛的理论和实验研究,而且已观测到很多新的现象和相变。

Negative differential resistance behavior in doped C_(82) molecular devices

By using the first-principle calculations and nonequilibrium Green functions method, the electronic transport properties of molecular devices constructed by C82, C80BN and C80N2 were studied. The results show that the electronic transport properties of molecular devices are affected by doped atoms. Negative differential resistance (NDR) behavior can be observed in certain bias regions for C82 and C80BN molecular devices but cannot be observed for C80N2 molecular device. A mechanism for the negative differential resistance behavior was suggested.

Large and controllable tunneling magnetoresistance in ferromagnetic/magnetic-semiconductor/ferromagnetic trilayers

In this work, we selected a magnetic-semiconductor as an interlayer and investigated the electronic transport properties in the ferromagnetic/ferromagnetic-semiconductor/ferromagnetic (FM/FS/FM) trilayers. The results indicate that the large TMR comparable to that in ferromagnetic/metal oxide/ferromagnetic sandwich can be obtained in the FM/FS/FM multilayers with considering the spin filter effect in the magnetic semiconductor layer. Moreover, the transmission coefficient and TMR can be tuned through thickness, Rashba spin-orbit coupling strength and molecular field of the magnetic semiconductor. Our calculations could provide a way to design the semiconductor spintronic devices with excellent and controllable properties.

Negative differential resistance in a molecular junction of carbon nanotube and benzene

We propose a novel molecular junction with single-walled carbon nanotubes as electrodes bridged by a benzene molecule, in which the electrodes are saturated by different terminations (C-, H- and N-). It is found that the different terminations at the carbon nanotube ends strongly affect the electronic transport properties of the junction. The current-voltage (I-V) curve of the N-terminated carbon nanotube junction shows a more striking nonlinear feature than that of the C- and H-terminated junctions at small bias. Moreover, the negative differential resistance behaviors can be observed significantly in the N-terminated carbon nanotube junction, whereas not in the other two cases.

Negative Differential Resistance in Atomic Carbon Chain-Graphene Junctions

We investigate the electronic transport properties of atomic carbon chain-graphene junctions by using the density-functionla theory combining with the non-equilibrium Green＇s functions. The results show that the transport properties are sensitively dependent on the contact geometry of carbon chain. From the calculated I-V curve we find negative differential resistance （NDR） in the two types of junctions. The NDR can be considered as a result of molecular orbitals moving related to the bias window.