Combined effect of the perpendicular magnetic field and dilute charged impurity on the electronic phase of bilayer AA-stacked hydrogenated graphene

We address the electronic phase engineering in the impurity-infected functionalized bilayer graphene with hydrogen atoms (H-BLG) subjected to a uniform Zeeman magnetic field, employing the tight-binding model, the Green's function technique, and the Born approximation. In particular, the key point of the present work is focused on the electronic density of states (DOS) in the vicinity of the Fermi energy. By exploiting the perturbative picture, we figure out that how the interaction and/or competition between host electrons, guest electrons, and the magnetic field potential can lead to the phase transition in H-BLG. Furthermore, different configurations of hydrogenation, namely reduced table-like and reduced chair-like, are also considered when impurities are the same and/or different. A comprehensive information on the various configurations provides the semimetallic and gapless semiconducting behaviors for unfunctionalized bilayer graphene and H-BLGs, respectively. Further numerical calculations propose a semimetal-to-metal and gapless semiconductor-to-semimetal phase transition, respectively, when only turning on the magnetic field. Interestingly, the results indicate that the impurity doping alone affects the systems as well, leading to semimetal-to-metal and no phase transition in the pristine system and hydrogenated ones, respectively. However, the combined effect of charged impurity and magnetic field shows that the pristine bilayer graphene is not influenced much as the functionalized ones and phase back transitions appear. Tuning of the electronic phase of H-BLG by using both types of electronic and magnetic perturbations play a decisive role in optical responses.     

A comparative study on the morphology of P3HT:PCBM solar cells with the addition of Fe<Subscript>3</Subscript>O<Subscript>4</Subscript> nanoparticles by spin and rod coating methods

Our previous study presented up to 20% power conversion efficiency (PCE) enhancement of poly(3-hexylthiophene):phenyl-C₆₁-butyric acid methyl ester (P3HT:PCBM) solar cells under the Fe₃O₄ nanoparticles (NPs) self-assembly (SA) effect by spin coating. Fe₃O₄ NPs (about 11 nm hydrodynamic diameter) form a thin layer at the top interface of the light absorbing active layer, which results in the generation of PCBM rich region improving the charge transport (Zhang et al. Sol Energ Mat Sol C 160:126–133, 2017). In order to investigate the feasibility of this Fe₃O₄ NPs SA effect under large-scale production condition, a smooth rod was implemented to mimic roll-to-roll coating technique and yield active layers having about the same thickness as the spin-coated ones. Small angle neutron scattering and grazing incidence X-ray diffraction were employed finding out similar morphologies of the active layers by these two coating techniques. However, rod-coated solar cell’s PCE decreases with the addition of Fe₃O₄ NPs compared with the one without them. This is because PCBM rich region is not created at the top interface of the active layer due to the absence of Fe₃O₄ NPs, which is attributed to the weak convective flow and low diffusion rate. Moreover, in the rod-coated solar cells, the presence of Fe₃O₄ NPs causes decrease in P3HT crystallinity, thus the charge transport and the device performance. Our study confirms the role of spin coating in the Fe₃O₄ NPs SA effect and enables researchers to explore this finding in other polymer nanocomposite systems.     

Structural and compositional heterogeneities in liquid aluminosilicate: insight from a grain structure model

Network structure as well as structural and compositional heterogeneities in aluminosilicate (Al₂O₃-2SiO₂) under compression is investigated by analysis and visualization of simulation data. Structural and compositional heterogeneities are clarified through analysis of topology structure and size distribution of TO _x -clusters (T = Si, Al; x = 3, 4, 5, 6) as well as OT _y -clusters (y = 2, 3, 4). The TO _x -cluster can be considered as TO _x -grains. It appears that the structure of aluminosilicate is the mixture of TO _x -grains with a different short-range order structure and this is the origin of structural heterogeneity. Regarding their composition, the OSi _y - and OAl _y -clusters can be considered as silica- and alumina-grains respectively, and the structure of aluminosilicate can thus be considered to be formed from silica- and alumina-grains. This results in compositional heterogeneity. Moreover, the degree of polymerization and polyamorphism as well as dynamic heterogeneity is also discussed in detail.     

Pressure effects on the thermodynamic and mechanical properties of zinc-blende ZnTe compound

In this paper, the moment method in statistical mechanics has been employed to study the pressure effects on thermodynamic and mechanical properties of zinc-blende zinc telluride using many-body potential. We have derived the analytical expressions of the pressure-dependent lattice parameter, volume compression as well as mean-square displacement of zinc-blende type compound. Numerical calculations performed for ZnTe compound up to 12 GPa are found to be in good and reasonable agreement with available experimental data as well as with previous theoretical studies. These results have been used to evaluate the bulk modulus and its first pressure derivative of ZnTe. The present moment method has taken into account the quantum zero-point vibrations at low temperature and the higher-order anharmonic terms in the atomic displacements. This research shows the advantage of moment method on extensively studying thermo-mechanical properties of materials under high pressures.     

Advances in theoretical and experimental XAFS studies of thermodynamic properties,anharmonic effects and structural determination of fcc crystals

Thermodynamic properties, anharmonic effects and structural determination of fcc crystals have been studied based on the theoretical and experimental Debye–Waller factors presented in terms of cumulant expansion up to the third order, thermal expansion coefficient, X-ray absorption fine structure (XAFS) spectra and their Fourier transform magnitudes. The advances in these studies are performed by the further development of the anharmonic correlated Einstein model primary only for approximating three first XAFS cumulants into the method using that all the considered theoretical and experimental XAFS parameters have been provided based on only the calculated and measured second cumulants. The obtained cumulants describe the anharmonic effects in XAFS contributing to the accurate structural determination. Numerical results for Cu are found to be in good agreement with the experimental values extracted by using the present advanced method and with those obtained by the other measurements.     

Inverse statistical problems: from the inverse Ising problem to data science

Inverse problems in statistical physics are motivated by the challenges of ‘big data’ in different fields, in particular high-throughput experiments in biology. In inverse problems, the usual procedure of statistical physics needs to be reversed: Instead of calculating observables on the basis of model parameters, we seek to infer parameters of a model based on observations. In this review, we focus on the inverse Ising problem and closely related problems, namely how to infer the coupling strengths between spins given observed spin correlations, magnetizations, or other data. We review applications of the inverse Ising problem, including the reconstruction of neural connections, protein structure determination, and the inference of gene regulatory networks. For the inverse Ising problem in equilibrium, a number of controlled and uncontrolled approximate solutions have been developed in the statistical mechanics community. A particularly strong method, pseudolikelihood, stems from statistics. We also review the inverse Ising problem in the non-equilibrium case, where the model parameters must be reconstructed based on non-equilibrium statistics.     

Modeling and waveform optimization of stick–slip micro-drives using the method of dimensionality reduction

In this paper, the dynamics of piezo-actuated stick–slip micro-drives are studied experimentally and theoretically. First, the stick–slip-based force-generating test stand is introduced, and experimental results are presented. Then, a numerical model is formulated which explicitly includes the dynamics of normal and tangential properties of the contact areas in the frictional driving elements of the drive. The contact forces are simulated using the method of dimensionality reduction. We show that the experimentally observed behavior can be described without using any fitting parameters or assuming any generalized laws of friction if the explicit contact mechanics of the frictional contacts is taken into account. Furthermore, an even simpler model of the drive is developed to get a qualitative understanding of the system. It is employed to gain a new actuation method, which reduces the vibrations of the drive’s runner and therefore enhances its performance.     

Effects of Cu2−xS phase removal on surface potential of Cu2ZnSnS4 thin-films grown by electroplating

Cu₂ZnSnS₄ (CZTS) has an optical band gap of 1.4–1.5 eV, which is similar to that of Cu(In,Ga)Se₂ (CIGS), and a high absorption coefficient (>10⁴ cm⁻¹) in the visible light region. In previous reports, CIGS thin-film solar cells have been shown to improve the performance of the device since the secondary phase is removed by Potassium cyanide (KCN) etching treatment. Therefore, in this study we applied a KCN etching treatment on CZTS and measured the effects. We confirmed the removal of Cu_2−xS via Kelvin probe force microscopy (KPFM) and Raman scattering spectroscopy. The effects of the experiment indicate that we can define with precision the location of the secondary phases, and therefore the control of the secondary phases will be easier and more efficient. Such capabilities could improve the solar cell performance of CZTS thin-films.     

A voltage-controlled chaotic oscillator based on carbon nanotube field-effect transistor for low-power embedded systems

This paper presents a compact and low-power-based discrete-time chaotic oscillator based on a carbon nanotube field-effect transistor implemented using Wong and Deng＇s well-known model. The chaotic circuit is composed of a nonlinear circuit that creates an adjustable chaos map, two sample and hold cells for capture and delay functions, and a voltage shifter that works as a buffer and adjusts the output voltage for feedback. The operation of the chaotic circuit is verified with the SPICE software package, which uses a supply voltage of 0.9 V at a frequency of 20 kHz. The time series, frequency spectra, transitions in phase space, sensitivity with the initial condition diagrams, and bifurcation phenomena are presented. The main advantage of this circuit is that its chaotic signal can be generated while dissipating approximately 7.8 μW of power, making it suitable for embedded systems where many chaos-signal generators are required on a single chip.     

Improved quantum state transfer via quantum partially collapsing measurements

In this work, we present a general scheme to improve quantum state transfer (QST) by taking advantage of quantum partially collapsing measurements. The scheme consists of a weak measurement performed at the initial time on the qubit encoding the state of concern and a subsequent quantum reversal measurement at a desired time on the destined qubit. We determine the strength q_r$q_r$ of the post quantum reversal measurement as a function of the strength p$p$ of the prior weak measurement and the evolution time t$t$ so that near-perfect QST can be achieved by choosing p$p$ close enough to 1, with a finite success probability, regardless of the evolution time and the distance over which the QST takes place. The merit of our scheme is twofold: it not only improves QST, but also suppresses the energy dissipation, if any.