Spin-polarized currents induced in antiferromagnetic polymer multilayered field-effect transistors.

A theoretical construction of an antiferromagnetic polymer multilayered field-effect transistor with polymers stretched between the source and drain contacts was undertaken. The model employed a quantum approach to the on-chain spin-charge distribution, which was self-consistently coupled with the charge distribution controlled by the gate voltage. Contrary to standard field-effect transistors, we found that the current firstly increased superlinearly with the drain voltage, then it achieved the maximum for drain voltages notably lower than the gate voltage, and after that, it decreased with the drain voltage with no saturation.

Formation of spin-polarized current in antiferromagnetic polymer spintronic field-effect transistors.

We have theoretically investigated the feasibility of constructing a spintronic field-effect transistor with the active channel made of a polymer chain with the antiferromagnetic coupling oriented in the source-to-drain direction. We found two different device function regimes controlling the on-chain spin-charge carrier density by tuning the gate voltage. At higher charge carrier densities, the source-drain current linearly increases with decreasing charge carrier densities.

Field-Free Magnetoplasmon-Induced Ultraviolet Circular Dichroism Switching in Premagnetized Magnetic Nanowires.

Broadband modulation of magnetic circular dichroism (MCD) using a relatively low magnetic field or by producing a field-free magnetoplasmonic effect in the remnant magnetic state was achieved by the integration of the noble metals (NMs) Au and Ag and the perpendicular magnetic anisotropy of Co with ZnO nanowires (NWs) used as the template. The samples containing NMs revealed MCD sign reversals and enhancements when compared with the original Co/ZnO NWs. The magnetoplasmonic effect of Au close to the visible light spectrum could induce the CD change in the visible region.

Enhanced Photodegradation in Metal Oxide Nanowires with Co-Doped Surfaces under a Low Magnetic Field.

This work demonstrated the enhanced photodegradation (PD) resulting from Co-rich doping of ZnO nanowire (NW) surfaces (Co/ZnO NWs) prepared by combining Co sputtering on ZnO NWs and immersion in deionized water to exploit the hydrophilic-hydrophobic transitions on the ZnO surfaces resulting from Co atom diffusion. Because of the controllable spin-dependent density of states (DOS) induced by Co, the PD of methylene blue dye can be enhanced by approximately 90% (when compared with bare ZnO NWs) by using a conventional permanent magnet with a relatively low magnetic field strength of approximately 0.15 T.

Gate voltage impact on charge mobility in end-on stacked conjugated oligomers.

We present a model of the charge transport in thin film organic field-effect transistors with the active channel made of linear conjugated chains stacked on the substrate with end-on-orientation. The transport was simulated in a box consisting of 25 polymer chains, in which the delocalized quantum orbital eigenstates of the on-chain hole distribution were calculated. The inter-chain charge transfer was solved semi-classically.

Effects of Strontium incorporation to Mg-Zn-Ca biodegradable bulk metallic glass investigated by molecular dynamics simulation and density functional theory calculation.

Molecular dynamics (MD) simulation and density functional theory (DFT) calculations were used to predict the material properties and explore the improvement on the surface corrosion resistance for the MgZnCaSr bulk metallic glass (BMG). The MgZnCa BMG was also investigated to realize the influence of the addition of Sr element on the material behaviors of MgZnCa. The Mg-Zn-Ca-Sr parameters of the next nearest-neighbor modified embedded atom method (2NN MEAM) potential were first determined by the guaranteed convergence particle swarm optimization (GCPSO) method based on the reference data from the density functional theory (DFT) calculation.

Theoretical model investigating the magnetic properties of cobalt-doped ZnO.

We propose a theoretical model to investigate the magnetic properties of cobalt-doped ZnO (ZnO:Co) thin films qualitatively. The model was built on the dilute Co dopants in the host of ZnO forming the magnetic Co ions and the energy level of the magnetic ions crossing the band edge of ZnO resulting in a magnetic interaction between the Co spins and the spins of the electrons from the conduction band of ZnO. The mechanism of the ferromagnetism revealed in the studied system is proposed here to be induced not only by the mediated conducting electrons via spin interactions but also by the Coulomb excitations, arising from the electrons localized by the oxygen vacancies.

Observing the three-dimensional terephthalic acid supramolecular growth mechanism on a stearic acid buffer layer by molecular simulation methods.

The terephthalic acid (TPA) supramolecular growth mechanisms on the stearic acid (STA) buffer layer, such as the phase separation and layer-by-layer (LBL) mechanisms, were considered by molecular simulations. The electrostatic surface potential (ESP) charges obtained by the semi-empirical package VAMP with PM6 were used with the Dreiding force field. The stochastic tunneling-basin hopping-discrete molecular dynamics method (STUN-BH-DMD) was first used to construct the most stable STA buffer layers (STA100, STA120, and STA140) on graphene.

Extraction of magnetic circular dichroism effects from blended mixture of magnetic linear dichroism signals in the cobalt/Scotch tape system.

Circular dichroism (CD) signals revealed in some materials may arise from different origins during measurements. Magnetic field dependent CD (MCD) emanating from the spin-polarized band provides direct insight into the spin-spin interband transitions in magnetic materials. On the contrary, natural CD effects which are artefactual signals resulting from the linear polarization (LP) components during the polarization modulation with a photo-elastic modulator in anisotropic polymer systems were usually observed.

Theoretical investigation of Hall sign change in SrRuO.

The appearance of Hall sign change in perovskite SrRuO thin films at Curie temperature was confirmed from our fabricated samples and the result was simulated by our proposed theoretical model. In particular, our simulation results are consistent with experimental results mainly due to the introduction of an impurity band in a two-band model. We found the other important factors in our theory responsible for observed consistency Hall measurements are the itinerant carrier density and its intrinsic carrier type.

Helical Majorana fermions in d(x2-y2) + id(xy)-wave topological superconductivity of doped correlated quantum spin Hall insulators.

There has been growing interest in searching for exotic self-conjugate, charge-neutral low-energy fermionic quasi-particles, known as Majorana fermions (MFs) in solid state systems. Their signatures have been proposed and potentially observed at edges of topological superconcuctors with non-trivial topological invariant in the bulk electronic band structure. Much effort have been focused on realizing MFs in odd-parity superconductors made of strong spin-orbit coupled materials in proximity to conventional superconductors.

Observation of the amorphous zinc oxide recrystalline process by molecular dynamics simulation.

The detailed structural variations of amorphous zinc oxide (ZnO) as well as wurtzite (B4) and zinc blende (B3) crystal structures during the temperature elevation process were observed by molecular dynamics simulation. The amorphous ZnO structure was first predicted through the simulated-annealing basin-hopping algorithm with the criterion to search for the least stable structure. The density and X-ray diffraction profiles of amorphous ZnO of the structure were in agreement with previous reports.

Substrate coupling effect to transport in nanographene ribbon.

Due to the components of electronics being developed on substrates, the substrate coupling to the conduction channel of electronics should be reasonably considered. We propose a nanographene ribbon coupling with substrates to study the variation in conductivity and magnetoresistance.

Temperature sensing using individual single-walled carbon nanotubes.

Molecular dynamics simulations and quantum transport theory are employed to study the temperature-dependent electrical properties of individual (12,0) zigzag and (5,5) armchair carbon nanotubes deposited on silicon substrates. The results demonstrate that the magnitude of the leakage current depends on the length of the nanotube. Furthermore, the leakage current is generated periodically along the length of the nanotube.

Investigation on the structural variation of Co-Cu nanoparticles during the annealing process.

This study uses molecular dynamics simulations to investigate the crystalline process of Co-Cu nanoparticles of high and low Co concentrations (5 and 25%) during the annealing process. The modified many-body tight-binding potential involving magnetic contribution is adopted to accurately model the Cu-Cu, Co-Co, and Co-Cu pair interactions. The Co-Co bond length increases, while the Co-Cu bond length decreases as the temperature gradually drops from 2000 K to the upper melting point.