Boron carbon nanotube superlattices: Geometry, electronic structure and quantum conductance

The stable boron carbon nanotube superlattices (BCNTSLs) that are constructed by periodically connecting carbon nanotube (CNT) and boron nanotube (BNT) with different lengths and diameters are predicted by employing the density functional first-principles calculations. The geometrical and electronic structures as well as quantum conductance of BCNTSLs are studied. It is found that the superlattices can be metallic or semiconducting depending on tube diameters and the ratio of BNT to CNT segments in a periodic unit. The confined states in the superlattice are observed. The present study could offer a useful way for designing some functional nanodevices.     

Two-dimensional electronic structure in InAs-GaSb superlattices

We have achieved by molecular-beam-epitaxy the new type of superlattice of InAs and GaSb whose energy gaps do not overlap. The observed Shubnikov-de Haas oscillations manifest the two-dimensional electronic subband structure, corroborating theoretical calculations. The deduced electron mass is enhanced primarily as a result of the strong nonparabolicity in the conduction-band of InAs.     

Splitting rules of electronic miniband in Fibonacci superlattices: a gap map approach

The splitting rules of fragmental miniband in Fibonacci superlattices (FSLs) with arbitrary basis and generation orders are presented through a gap map diagram. Based on the gap map, we find the invariant conditions of the band structure splitting in the FSL for arbitrary generation orders. Moreover, the band structure splitting can be divided to form many regions, each having a similar pattern. In each region, the widths of most gap bands except two major gaps will decrease for increasing the generation order. It is interesting that the center and gap width of the major gaps will converge to constant values for increasing the generation order of the FSL. Based on the splitting rules displayed in the gap map, it is convenient to predict the fragmental band structure in the FSL for arbitrary generation orders and bases.     

Low-temperature properties of ferromagnetic Fibonacci superlattices

Theoretical analysis of the layered quasi-periodic Fibonacci structures (superlattices-sequence) is presented for the systems consisting of n_A and n_B ferromagnetically ordered planes within the layers with S_a and S_b spins, respectively, while the interfaces are coupled with bilinear and/or biquadratic exchange interaction, within the framework of localized spin model in the low-temperature limit. Transfer matrix method and direct diagonalization after the bosonization in Bloch's approximation resulted both in the same analytical expression for the magnon-excitation energy. The equivalence (at low-temperatures) of the transfer matrix (spin) and boson approach was discussed, as well as the role of the interlayer biquadratic coupling between different blocks constituting the Fibonacci sequences. Also, our approach allows the determination of the internal energy and calculation of the magnon contribution to the specific heat. It was clearly demonstrated that the magnon specific heat vanishes for T → 0. Our results are compared with the results of other authors.     

Engineering the electronic structure of graphene superlattices via Fermi velocity modulation

Graphene superlattices have attracted much research interest in the last years, since it is possible to manipulate the electronic properties of graphene in these structures. It has been verified that extra Dirac points appear in the electronic structure of the system. The electronic structure in the vicinity of these points has been studied for a gapless and gapped graphene superlattice and for a graphene superlattice with a spatially modulated energy gap. In each case a different behavior was obtained. In this work we show that via Fermi velocity engineering it is possible to tune the electronic properties of a graphene superlattice to match all the previous cases studied. We also obtained new features of the system never observed before, reveling that the electronic structure of graphene is very sensitive to the modulation of the Fermi velocity. The results obtained here are relevant for the development of novel graphene-based electronic devices.     

C40富勒烯分子的电子结构与传输特性研究

本文采用密度泛涵理论对富勒烯C40分子进行了结构优化,得到了稳定构型,然后构建了以金原子面为电极的电子输运模型．使用非平衡格林函数方法对构建的电子输运模型进行了电子输运性质的计算,得到了电子透射谱和伏安曲线,并分析了分子器件产生电子输运性质的原因. 研究结果发现：C40富勒烯的化学活性明显强于富勒烯C60和C32分子,在一些分子能级处,该分子为一个良导体．     

富勒稀C36的电子结构与电子传导

本文采用基于第一性原理的密度泛函理论和非平衡格林函数方法研究了C36分子的电子结构和电子传导特性．本文以Au(1,1,1)为电极分别建立了4个电子输运模型,分别计算了他们的电子传输概率、伏安曲线,同时分析了产生这些分子器件电子输运性质的原因．研究计算结果发现, C36的电子输运主要发生在分子壳上,当左、右电极分别连接在第6号和第35号碳原子两端时,C36的电子输运性能最好,伏安曲线显示该分子具有半导体特性．     

C50富勒烯分子的电子结构与传输特性研究

本文构建了Au原子面为电极的富勒烯C₅₀分子的电子输运模型,使用非平衡格林函数方对构建的以Au原子面为电极的C₅₀分子的电子输运模型进行了电子传输性质的计算.通过计算得出了电子透射谱、电导曲线和电流电压曲线,分析了此分子器件产生电子输运性质的原因.研究计算结果发现:C₅₀分子具有量子器件的开关特性,并具有明显的半导体特征.     

C40富勒烯分子的电子结构与传输特性研究

本文采用密度泛涵理论对富勒烯C₄₀分子进行了结构优化,得到了稳定构型,然后构建了以金原子面为电极的电子输运模型.使用非平衡格林函数方法对构建的电子输运模型进行了电子输运性质的计算,得到了电子透射谱和伏安曲线,并分析了分子器件产生电子输运性质的原因.研究结果发现:C₄₀富勒烯的化学活性明显强于富勒烯C₆₀和C₃₂分子,在一些分子能级处,该分子为一个良导体.     

Suppression of the singularly localized states in dimer quasiperiodic Fibonacci superlattices

Using the transfer-matrix technique, we have numerically investigated the effect of introducing the dimer on the nature of the states across Dimer Fibonacci semiconductor superlattices on the miniband structure of the GaAs/Al_xGa_1?xAs superlattices. By the introduction of the dimer model, the transmission spectra reveal the appearance of a miniband structure with a concomitant disappearance of the singularly localized states. This behavior is due to the interaction between the states of the dimer wells inside the potential and, therefore, the system is seen by the particle as two overlapped ordered structures.     

Dynamic dc voltage band in vertical transport of superlattices

By the numerical method, we show a transition process from static to dynamic electric-field domain formation in semiconductor superlattices. During this transition, there can be noticed a sawtooth-like zone in which static and dynamic electric-field domain zones appear alternatively with increasing voltage. Therefore, a dynamic dc voltage band emerges from each sawtooth-like branch of the current－voltage characteristic. These results are qualitatively in agreement with experiment.     

Effect of a gap opening on the conductance of graphene superlattices

The electronic transmission and conductance of a gapped graphene superlattice were calculated by means of the transfer-matrix method. The system that we study consists of a sequence of electron-doped graphene as wells and hole-doped graphene as barriers. We show that the transmission probability approaches unity at some critical value of the gap. We also find that there is a domain around the critical gap value for which the conductance of the system attains its maximum value.     

Raman spectroscopy of acoustic phonons in periodic and Fibonacci superlattices

Results of Raman scattering experiments on (a) periodic superlattices made up of GaAs/In_xGa_1−xAs layers with high indium concentrations, (b) GaAs/Ga_1−xAl_xAs Fibonacci superlattices, are presented. We discuss the observed peak positions and intensities using the continuum theory of acoustic wave propagation in layered media and the photo-elastic coupling model.