For analyzing quantum transport in semiconductor devices, accurate electronic structures are critical for quantitative predictions. Here we report theoretical analysis of electronic structures of all III-V zinc-blende semiconductor compounds. Our calculations are from density functional theory with the semilocal exchange proposed recently [Tran and Blaha, Phys. Rev. Lett. 102, 226401 (2009)], within the linear muffin tin orbital scheme. The calculated band gaps and effective masses are compared to experimental data and good quantitative agreement is obtained. Using the theoretical scheme presented here, quantum transport in nanostructures of III-V compounds can be confidently predicted.

Structural changes of few-layer graphene sheets induced by CF4 plasma treatment are studied by optical microscopy and Raman spectroscopy, together with theoretical simulation. Experimental results suggest a thickness reduction of few-layer graphene sheets subjected to prolonged CF4 plasma treatment while plasma treatment with short time only leads to fluorine functionalization on the surface layer by formation of covalent bonds. Raman spectra reveal an increase in disorder by physical disruption of the graphene lattice as well as functionalization during the plasma treatment. The F/CF3 adsorption and the lattice distortion produced are proved by theoretical simulation using density functional theory, which also predicts p-type doping and Dirac cone splitting in CF4 plasma-treated graphene sheets that may have potential in future graphene-based micro/nanodevices.

Pure spin current for a photon energy of 3.1 eV with a polarization angle of 53 degree under linearly polarized light.

Nickel sulfides are regarded as one of the promising anode materials for sodium-ion batteries (SIBs), but the sluggish electrodes kinetics and rapid capacity decay, caused by their intrinsic low electrical conductivity and high bulk expansion, greatly limit their practical application. To overcome these obstacles, nano-sized, selenium-doped, nickel sulfide particles, anchored on nitrogen-doped reduced graphene oxide composites (NiS_1−xSe_x@N–rGO), are rationally synthesized. The broad Na⁺ diffusion channels, resulting from Se doping, as well as the short Na⁺ transferring path, attributed from nano-size scale of NiS_1−xSe_x particles, endow NiS_1−xSe_x@N–rGO composites with ultrafast storage kinetics. Moreover, strong coupled effect between the NiS_1−xSe_x and N–rGO is beneficial to the uniform dispersion of NiS_1−xSe_x nanoparticles, improving electrical conductivity and suppressing the volume variation in charge/discharge process. Furthermore, the cut-off discharge voltage is modulated to realize the smaller volume change during cycle process. As a result, the fabricated anode of SIBs based on NiS_1−xSe_x@N–rGO composites exhibits a high specific capacity of 300 mAh g⁻¹, at the current density of 1 A g⁻¹, after 1000 cycles with almost no capacity degradation.

The paper reported the fabrication and operation of nonvolatile ferroelectric field effect transistors (FeFETs) with a top gate and top contact structure. Ultrathin Si nanomembranes without source and drain doping were used as the semiconducting layers whose electrical performance was modulated by the polarization of the ferroelectric poly(vinylidene fluoride trifluoroethylene) [P(VDF-TrFE)] thin layer. FeFET devices exhibit both typical output property and obvious bistable operation. The hysteretic transfer characteristic was attributed to the electrical polarization of the ferroelectric layer which could be switched by a high enough gate voltage. FeFET devices demonstrated good memory performance and were expected to be used in both low power integrated circuit and flexible electronics.