Field induced Chern insulating states in twisted monolayer–bilayer graphene

Unraveling the mechanism underlying topological phases, notably the Chern insulators(Ch Is) in strong correlated systems at the microscopy scale, has captivated significant research interest. Nonetheless, Ch Is harboring topological information have not always manifested themselves, owing to the constraints imposed by displacement fields in certain experimental configurations. In this study, we employ density-tuned scanning tunneling microscopy(DT-STM) to investigate the Ch Is in twisted monolayer–bilayer graphene(t MBG). At zero magnetic field, we observe correlated metallic states.While under a magnetic field, a metal–insulator transition happens and an integer Ch I is formed emanating from the filling index s = 3 with a Chern number C = 1. Our results underscore the pivotal role of magnetic fields as a powerful probe for elucidating topological phases in twisted Van der Waals heterostructures.

Velocity Form Calculations of Generalized Oscillator Strengths for 3s→ (3p, 4p, 5p, 6p) Dipole Transitions of Atomic Sodium in Debye Plasma

In this paper, the generalized oscillator strengths (GOSs) of excitations of atomic sodium from ground state to 2p63s0 (3p, 4p, 5p, 6p) states, immersed in Debye plasma, were calculated by using wavefunctions which were obtained numerically from the restricted Hartree-Fock (RHF) equation. This RHF equation employs the local density approach for exchange interactions including plasma Debye screening. Theoretical RHF and random phase approximation with exchange (RPAE) velocity calculations have shown that the GOSs for excitations to 3 s0(3 p,4 p,5 p,6 p)depend on the plasma Debye screening effects, as shown by the reduction in the GOS amplitude with decreasing Debye length λD. The agreement between the present RPAE V results for the transitions 3 s→3 s0(3 p,4 p,5 p)and the length calculations of Martínez-Flores was satisfactory. Correlation effects were found quite to be significant in the vicinity of the maxima of the GOS of the 3 s→3 s0(4 p,5 p,6 p)excitations by using the RPAE V approach. We note the poor influence of many electron correlations on the GOS of (3 s→3 p)transition with the same principal quantum number. Finally, we comment that the RPAE V calculations are useful in investigating electron correlation effects on the transition GOS of atomic sodium planted in Debye plasma. The present velocity results also reveal that the 3 s→3 s0(5p, 6p)transition GOSs tend to be delocalized due to more significant screening effects at Debye lengths λD=20and 30 a.u. for excited subshells 5p and 6p, respectively. We report here novel results of GOS for 3 s→3 s06ptransition obtained from different Debye lengths.

Correlation effects on the fine-structure splitting within the 3d9 ground configuration in highly-charged Co-like ions

A comprehensive theoretical study of correlation effects on the fine-structure splitting within the ground configuration 3d9 of the Co-like HI45＋, Ta46＋, W47＋, and Au52＋ ions is performed by employing the multi-configuration Dirac-Hartree- Fock method in the active space approximation. It shows that the core-valence correlation with the inner-core 2p electron is more significant than with the outer 3p and 3s electrons, and the correlation with the 2s electron is also noticeable. The core-core correlation seems to be small and can be ignored. The calculated 2D3/2,5/2 splitting energies agree with the recent electron-beam ion-trap measurements [Phys. Rev. A 83 032517 （2011）, Eur. Phys. J. D 66 286 （2012）] to within the experimental uncertainties.

Analysis of genetic effects and correlations for nutrient quality traits of indica rice in different environments

Understanding the variation for the expressionof genes in different environments is one of themajor goals in qualitative genetics. In this pa-per, the genetic models for quantitative traitsof endosperm in cereal crops were used to eval-uate the seed, cytoplasm and maternal geneticeffects as well as the genotype × environment(GE) interaction effects, and to predict thebreeding value of parents and genotypic corre-lation for nutrient quality traits of indica rice (Oryza sativa L.).

Capital mobility in Latin American and Caribbean countries: new evidence from dynamic common correlated effects panel data modeling

This study investigates the degree of capital mobility in a panel of 16 Latin American and 4 Caribbean countries during 1960 to 2017 against the backdrop of the Feldstein-Horioka hypothesis by applying recent panel data techniques.This is the first study on capital mobility in Latin American and Caribbean countries to employ the recently developed panel data procedure of the dynamic common correlated effects modeling technique of Chudik and Pesaran(J Econ 188:393–420,2015)and the error-correction testing of Gengenbach,Urbain,and Westerlund(Panel error correction testing with global stochastic trends,2008,J Appl Econ 31:982–1004,2016).These approaches address the serious panel data econometric issues of crosssection dependence,slope heterogeneity,nonstationarity,and endogeneity in a multifactor error-structure framework.The empirical findings of this study reveal a low average(mean)savings–retention coefficient for the panel as a whole and for most individual countries,as well as indicating a cointegration relationship between saving and investment ratios.The results indicate that there is a relatively high degree of capital mobility in the Latin American and Caribbean countries in the short run,while the long-run solvency condition is maintained,which is due to reduced frictions in goods and services markets causing increase competition.Increased capital mobility in these countries can promote economic growth and hasten the process of globalization by creating a conducive economic environment for FDI in these countries.

Electron Correlation Effects in Polaron-Pair Recombination in Conjugated Polymers

Within a Su-Schriffer-Heeger model modified to include electron-electron interaction and an external electric field, we investigate the dynamics of oppositely charged polarons in a polymer chain in the presence of both electron-phonon and electron-electron interactions under the influence of an external electric field. We adopt a multi-configurational time-dependent Hartree-Fock method for the time-dependent Schrodinger equation and the Newtonian equation of motion for a lattice. Our results show that the on-site Coulomb interaction is of fundamental importance and favors the recombination between the pairs of polarons, and the yield of excitons depends crucially on the strength of the on-site Coulomb interaction U. Furthermore, the influence of the nearest neighbor interaction V is also discussed.

Can environmental sustainability be decoupled from economic growth? Empirical evidence from Eastern Europe using the common correlated effect mean group test

The European Union(EU) and Organisation for Economic Co-operation and Development(OECD) aim to develop long-term policies for their respective member countries. Having observed increasing dangers to the environment posed by rising economic growth, they are seeking pathways to enable policy action on economic growth and environmental sustainability. Given the facts in theoretical and empirical studies, this study assessed the validity of the decoupling hypothesis by investigating asymmetricity in the relationship between environmental sustainability and economic growth in nine Eastern European countries from 1998 to 2017 using the cross-section augmented Dickey-Fuller(CADF) unit root, panel corrected standard error(PCSE), common correlated effect mean group(CCEMG), and Dumitrescu Hurlin causality approaches. Both population growth and drinking water are used as controlled variables. The outcomes establish strong cointegration among all the variables of interest. According to the results of CCEMG test, economic growth exerts short-term environmental degradation but has long-term environmental benefits in Eastern Europe;and population growth and drinking water exert a positive effect on environmental sustainability in both the short-and long-run. The results of Dumitrescu Hurlin causality test indicate that environmental sustainability is unidirectionally affected by economic growth. Based on these outcomes, we suggest the following policies:(1) the EU and OECD should implement member-targeted policies on economic growth and fossil-fuel use towards regulating industrial pollution, water use, and population control;and(2) the EU and OECD member countries should invest in environmental technologies through green research and development(R&D) to transform their dirty industrial processes and ensure productive energy use.

Structural, electronic and magnetic properties of Fe-doped strontium ruthenates

By employing a combined approach of density-functional theory(DFT) and dynamical mean-field theory(DMFT) calculations, we examine the structural, electronic, and magnetic characteristics of two distinct strontium ruthenates: Sr2RuO4,an unconventional superconductor, and the correlated metal SrRuO3, both at 50% Fe-doping level. In both Sr2Fe0.5Ru0.5O4and SrFe0.5Ru0.5O3, the original ruthenium(Ru) and the dopant iron(Fe) atoms adopt 3-dimensional and 2-dimensional G-type structures, respectively. The hybridization between Fe-3d and Ru-4d is comparatively weaker than in other double perovskite systems. The interplay between strong correlations and reduced itinerancy results in significant spin splitting at Fe and Ru sites. Consequently, a charge transfer process, along with the super-exchange effect, leads to antiferromagnetically coupled Fe3+and Ru5+ions and establishes a semiconducting ferrimagnetic order. Subsequent DMFT calculations demonstrate the persistence of the ferrimagnetic order even at room temperature(300 K). These findings align with prior reports on Sr Fe0.5Ru0.5O3, thus reinforcing the notion that 3d–4d transition metal oxides hold considerable promise as candidates for high-performance spintronic devices, such as spin-valve sensors and spintronic giant magnetoresistance devices.

Investigation of reinforcement of the modified carbon black from wasted tires by nuclear magnetic resonance

Pyrolysis has the potential of transforming waste into recyclable products. Pyrolytic carbon black (PCB) is one of the most important products from the pyrolysis of used tires. Techniques for surface modifications of PCB have been developed. One of the most significant applications for modified PCB is to reinforce the rubber matrix to obtain high added values. The transverse relaxation and the chain dynamics of vulcanized rubber networks with PCB and modified PCB were studied and compared with those of the commercial carbon blacks using selective 1H transverse relaxation (T2) experiments and dipolar correlation effect (DCE) experiments on the stimulated echo. Demineralization and coupling agent modification not only intensified the interactions between the modified PCB and the neighboring polyisoprene chains, but also increased the chemical cross-link density of the vulcanized rubber with modified PCB. The mechanical testing of the rubbers with different kinds of carbon blacks showed that the maximum strain of the rubber with modified PCB was improved greatly. The mechanical testing results confirmed the conclusion obtained by nuclear magnetic resonance (NMR). PCB modified by the demineralization and NDZ-105 titanate coupling agent could be used to replace the commercial semi-reinforcing carbon black.

Theoretical Study of Haloacetonitrile Anions： CH2XCN^- （X=F, Cl）

Haloacetonitrile anions CH2XCN- （X=F, Cl） were studied by HF-SCF, Becke3-LYP, and MP2 methods together with the Dunning＇s basis set aug-cc-PVTZ. The vertical electron attachments to the neutral are endothermic. The geometrically optimized CH2FCN^- is mainly a valence-bounded anion and CH2FCN→CH2CN＋F^- is a nonadiabatic dissociation. This theoretical study in good agreement with the experimental results shows that the Becke3-LYP method is reasonable in describing the electronic structures of anions and dissociative attachment dynamics, while significant differences between MP2 and Becke3-LYP results are shown for the dissociation potential curves of CH2ClCN→CH2CN＋Cl^-.

A first-principles study of the structural and elastic properties of orthorhombic and tetragonal Ca_3Mn_2O_7

The structural and elastic properties of multiferroic Ca3Mn2O7 with ferroelectric orthorhombic （O-phase） and paraelectric tetragonal structures （T-phase） have been studied by first-principles calculations within the generalized gradient approximation （GGA） and the GGA plus Hubbard U approaches （GGA ＋ U）. The calculated theoretical structures are in good agreement with the experimental values. The T-phase is found to be antiferromagnetic （AFM） and the AFM O-phase is more stable than the T-phase, which also agree with the experiments. On these bases, the single-crystal elastic constants （Cijs） and elastic properties of polycrystalline aggregates are investigated for the two phases. Our elasticity calculations indicate Ca3Mn2O7 is mechanically stable against volume expansions. The AFM O-phase is found to be a ductile material, while the AFM T-phase shows brittle nature and tends to be elastically isotropic. We also investigate the influence of strong correlation effects on the elastic properties, qualitatively consistent results are obtained in a reasonable range of values of U. Finally, the ionicity is discussed by Bader analysis. Our work provides useful guidance for the experimental elasticity measurements of Ca3Mn2O7, and makes the strain energy calculation in multiferroic Ca3Mn2O7 thin films possible.

Uncertainty evaluation and correlation analysis of single-particle energies in phenomenological nuclear mean field:an investigation into propagating uncertainties for independent model parameters

Based on the Monte Carlo approach and conventional error analysis theory,taking the heaviest doubly magic nucleus 208Pb as an example,we first evaluate the propagated uncertainties of universal potential parameters for three typical types of single-particle energy in the phenomenological Woods–Saxon mean field.Accepting the Woods–Saxon modeling with uncorrelated model parameters,we found that the standard deviations of singleparticle energy obtained through the Monte Carlo simulation and the error propagation rules are in good agreement.It seems that the energy uncertainty of the single-particle levels regularly evoluate with certain quantum numbers to a large extent for the given parameter uncertainties.Further,the correlation properties of the single-particle levels within the domain of input parameter uncertainties are statistically analyzed,for example,with the aid of Pearson’s correlation coefficients.It was found that a positive,negative,or unrelated relationship may appear between two selected single-particle levels,which will be extremely helpful for evaluating the theoretical uncertainty related to the single-particle levels(e.g.,K isomer)in nuclear structural calculations.

Preliminary research on the relationship between long-range correlations and predictability

By establishing the Markov model for a long-range correlated time series （LRCS） and analysing its evolutionary characteristics, this paper defines a physical effective correlation length （ECL） T, which reflects the predictability of the LRCS. It also finds that the ECL has a better power law relation with the long-range correlated exponent γ of the LRCS： T = Kexp（-γ/0.3） ＋ Y, （0 〈 γ〈 1） the predictability of the LRCS decays exponentially with the increase of γ It is then applied to a daily maximum temperature series （DMTS） recorded at 740 stations in China between the years 1960-2005 and calculates the ECL of the DMTS. The results show the remarkable regional distributive feature that the ECL is about 10-14 days in west, northwest and northern China, and about 5-10 days in east, southeast and southern China. Namely, the predictability of the DMTS is higher in central-west China than in east and southeast China. In addition, the ECL is reduced by 1-8 days in most areas of China after subtracting the seasonal oscillation signal of the DMTS from its original DMTS; however, it is only slightly altered when the decadal linear trend is removed from the original DMTS. Therefore, it is shown that seasonal oscillation is a significant component of daily maximum temperature evolution and may provide a basis for predicting daily maximum temperatures. Seasonal oscillation is also significant for guiding general weather predictions, as well as seasonal weather predictions.

Kosterlitz–Thouless transition, spectral property and magnetic moment for a two-dot structure with level difference

By means of the numerical renormalization group method, we study the phase transition, the spectral property, and the temperature-dependent magnetic moment for a parallel double dot system with level difference, where the dot energies are kept symmetric to the half-filled level. A Kosterlitz–Thouless（KT） transition between local spin triplet and singlet is found. In the triplet regime, the local spin is partially screened by the conduction leads and spin-1 Kondo effect is realized.While for the singlet, the Kondo peak is strongly suppressed and the magnetic moment decreases to 0 at a definite low temperature. We attribute this KT transition to the breaking of the reflection symmetry, resulting from the difference of the charge occupations of the two dots. To understand this KT transition and related critical phenomena, detailed scenarios are given in the transmission coefficient and the magnetic moment, and an effective Kondo model refers to the RayleighSchrdinger perturbation theory is used.

Experimental and calculated momentum densities for the complete valence orbitals of the antimicrobial agent diacetyl

The first electronic structural study of the complete valence shell binding energy spectra of the antimicrobial agent diacetyl, encompassing both the outer and inner valence regions, is reported. The binding energy spectra as well as the individual orbital momentum profiles have been measured by using a high resolution （e, 2e） electron momentum spectrometer （EMS） at an impact energy of 1200eV plus the binding energy, and using symmetric noncoplanar kinematics. The experimental orbital electron momentum profiles are compared with self-consistent field （SCF） theoretical profiles calculated using the Hartree-Fock approximation and Density Functional theory predictions in the target Kohn-Sham approximation which includes some treatment of correlation via the exchange and correlation potentials with a range of basis sets. The pole strengths of the main ionization peaks from the inner valence orbitals are estimated.

Filling dependence of correlation exponents and metal-Mott insulator transition in strongly correlated electron systems

Using a universal relation between electron filling factor and ground state energy, this paper studies the dependence of correlation exponents on the electron filling factor of one-dimensional extended Hubbard model in a strong coupling regime, and demonstrates that in contrast to the usual Hubbard model （gc = 1/2）, the dimensionless coupling strength parameter gc heavily depends on the electron filling, and it has a ＂particle-hole＂ symmetry about electron quarter filling point. As increasing the nearest neighbouring repulsive interaction, the single particle spectral weight is transferred from low energy to high energy regimes. Moreover, at electron quarter filling, there is a metal-Mott insulator transition at the strong coupling point gc = 1/4, and this transition is a continuous phase transition.

The Economic Effect of Mineral Resources Exploitation in Bijie Prefecture in Guizhou

The exploitation of mineral resources plays an important role in promoting national economic development. Mining is an essential component of China's industrial economy. Using grey correlation method to analyze the correlative effect of mineral resources exploitation to relevant industries, using national income method to calculate the pulling effect of mineral resources exploitation to economic growth and using graphs as well as tables to analyze the income distribution effect, the article obtains active economic effect of mineral resources development in Bijie, Guizhou. Moreover, from the view of resources-cored effect, the article analyzes negative effects such as single industrial structure brought by mineral resource development. Through analysis, we find that mineral resources exploitation to some extent brings active effects including gross domestic product growth, local financial revenue growth and relevant industries development; however, its negative effects should not be ignored. The negative effect can be lightened by diversifying industrial structure and prolonging industrial chain.

Study of ss-DNA Adsorption and Nano-mechanical Properties on Mica Substrate with Surface Forces Apparatus

Many DNA?based devices need to build stable and controllable DNA films on surfaces. However, the most com?monly used method of film characterization, namely, the probe?like microscopes which may destroy the sample and substrate. Surface Forces Apparatus(SFA) technique, specializing in surface interaction studies, is introduced to investigate the e ects of DNA concentration on the formation of single?stranded DNA(ss?DNA) film. The result demonstrates that 50 ng/μL is the lowest concentration that ss?DNA construct a dense layer on mica. Besides, it is also indicated that at di erent DNA concentrations, ss?DNA exhibit diverse morphology: lying flat on surface at 50 ng/μL while forming bilayer or cross?link at 100 ng/μL, and these ss?DNA structures are stable enough due to the repeatabil?ity even under the load of 15 mN/m. At the same time, an obvious adhesion force is measured:/m at 100 ng/μL, respectively, which is attributed to the ion?correlation e ect. M-6.5 mN/m at 50 ng/μL and-5.3 mNoreover, the atomic force microscopy(AFM) images reveal the entire surface is covered with wormlike ss?DNA and the measured surface roughness(1.8±0.2 nm) also matches well with the film thickness by SFA. The desorption behaviors of ss?DNA layer from mica surface occur by adding sodium salt into gap bu er, which is mainly ascribed to the decreased ion?ion cor?relation force. This paper employing SFA and AFM techniques to characterize the DNA film with flexibility and stable mechanical ability achieved by ion bridging method, is helpful to fabricate the DNA?based devices in nanoscale.

Phase transition and charge transport through a triple dot device beyond the Kondo regime

Semiconductor quantum dot structure provides a promising basis for quantum information processing, within which to reveal the quantum phase and charge transport is one of the most important issues. In this paper, by means of the numerical renormalization group technique, we study the quantum phase transition and the charge transport for a parallel triple dot device in the strongly correlated limit, focusing on the effect of inter-dot hopping t beyond the Kondo regime. We find the quantum behaviors depend closely on the initial electron number on the dots, and the present model may map to single,double, and side-coupled impurity models in different parameter spaces. An orbital spin-1/2 Kondo effect between the conduction leads and the bonding orbital, and several magnetic-frustration phases are demonstrated when t is adjusted to different regimes. To understand these phenomena, a canonical transformation of the energy levels is given, and important physical quantities with respect to increasing t and necessary theoretical discussions are shown.

Heavy Atom Effect on the First Hyperpolarizabilities of Squaric Acid Homologues Studied by Ab Initio and DFT Methods

We have calculated the first hyperpolarizabilities of four squaric acid homologue molecules: 3,4-dithiohydroxy-3-cyclobutene-1,2-dione (OSSQ), 3,4-dithiohydroxy-3-cyclobutene-1, 2-dithione (SSSQ), 3,4-dithiohydroxy-3-cyclobutene-1,2-diselenone (SeSSQ) and 3,4-dithiohydroxy- 3-cyclobutene-1,2-ditellurone (TeSSQ). The correlation effect was investigated at the second-order Mller-Plesset (MP2) perturbation and density functional theory (DFT) levels. The frequency disper- sion and solvent effect were considered to compare the theoretical values with the experimental observations. Based on all of these studies, it is worthy to point out that the heavy atom effect dis- covered for furan homologues is an influence on the first hyperpolarizabilities of squaric acid homologues.