Adsorption of magnetic transition metals on borophene: an ab initio study

We explore the doping strategy for adsorbing different metallic 3d transition-metal atoms (Fe, Co and Ni) on two different polymorphs of borophene monolayer: 2-Pmmn and 8-Pmmn borophene. Both have energy dispersion, with 2-Pmmn borophene being metallic in nature, and 8-Pmmn borophene being semi-metallic with a tilted Dirac cone like dispersion. Using density functional theory based calculations, we find the most suitable adsorption site for each adatom, and calculate the binding energy, binding energy per atom, charge transfer, density of states and magnetic moment of the resulting borophene-adatom system. We show that Ni is the most effective for electron doping for both the polymorphs. Additionally Fe is the most suitable to magnetically dope 8-Pmmn borophene, while Co is the best for magnetically doping 2-Pmmn borophene.     

Growth and characterization of a pure and doped nonlinear optical l-histidine acetate single crystals

Single crystals of pure, Cu²⁺and Mg²⁺ doped l-histidine acetate (LHA) were grown successfully by slow evaporation technique. The X-ray diffraction (XRD) studies were carried out for the pure and doped grown crystals. Absorption of these grown crystals was analyzed using UV-vis-NIR studies, and it was found that these crystals possess minimum absorption from 200 nm to 1500 nm. The pure and doped crystals are characterized by Fourier transform Raman (FT-Raman), thermal and photoconductivity studies. Vickers microhardness tests were carried out for the pure and doped crystals and the mechanical strengths were found. The dielectric constant and the dielectric loss with frequency were also studied.     

Origin of the anomalous magnetic circular dichroism spectral shape in ferromagnetic Ga(1-x)MnxAs: impurity bands inside the band gap

The electronic structure of a prototype dilute magnetic semiconductor (DMS), Ga(1-x)MnxAs, is studied by magnetic circular dichroism (MCD) spectroscopy. We prove that the optical transitions originated from impurity bands cause the strong positive MCD background. The MCD signal due to the E0 transition from the valence band to the conduction band is negative indicating that the p-d exchange interactions between the p carriers and d spin is antiferromagnetic. The negative E0 MCD signal also indicates that the hole doping of the valence band is not so large as previously assumed. The impurity bands seem to play important roles for the ferromagnetism of Ga(1-x)MnxAs.     

Defects in semiconductor nanostructures

Impurities play a pivotal role in semiconductors. One part in a million of phosphorous in silicon alters the conductivity of the latter by several orders of magnitude. Indeed, the information age is possible only because of the unique role of shallow impurities in semiconductors. Although work in semiconductor nanostructures (SN) has been in progress for the past two decades, the role of impurities in them has been only sketchily studied. We outline theoretical approaches to the electronic structure of shallow impurities in SN and discuss their limitations. We find that shallow levels undergo a SHADES (SHAllow-DEep-Shallow) transition as the SN size is decreased. This occurs because of the combined effect of quantum confinement and reduced dielectric constant in SN. Level splitting is pronounced and this can perhaps be probed by ESR and ENDOR techniques. Finally, we suggest that a perusal of literature on (semiconductor) cluster calculations carried out 30 years ago would be useful.      

A general method for deriving boundary conditions associated with reduced distribution functions

A systematic procedure based on projection operator methods for deriving boundary conditions on the reduced distribution functions arising from those imposed on the full distribution function is given. The method is illustrated by applying it to Brownian motion.     

Isomeric transitions in203Bi and205Bi

High spin states in^{203, 205}Bi, populated in the^{203, 205}Tl (α,4n) reactions, have been studied using gamma-ray and conversion-electron spectroscopy. Several previously unobserved isomeric transitions were identified by electron-electron coincidence measurements in both isotopes and in²⁰⁵Bi a new isomer was found. The observed states can be explained as arising from couplings of the oddh _9/2 proton to neutron states in the neighbouring Pb cores. Reduced transition probabilities are derived and discussed.     

On discrete boundary value problems arising in transport phenomena

For the discrete boundary value problems arising in transport processes we provide comparison results. These results are used to develop monotone iterative methods for the construction of the maximal and minimal solutions in a sector. The advantage of this technique is that the successive approximations are the solutions of the initial and terminal value problems. Numerical illustration showing the sharpness as well the importance of the obtained results is also included.     

Infinite Interval Problems Modeling the Flow of a Gas Through a Semi-Infinite Porous Medium

Various existence results are presented for boundary-value problems on the infinite interval. In particular, our theory includes a discussion of a problem arising in the unsteady flow of a gas through a semi–infinite porous medium.     

Model equations from a chaotic time series

We present a method for obtaining a set of dynamical equations for a system that exhibits a chaotic time series. The time series data is first embedded in an appropriate phase space by using the improved time delay technique of Broomhead and King (1986). Next, assuming that the flow in this space is governed by a set of coupled first order nonlinear ordinary differential equations, a least squares fitting method is employed to derive values for the various unknown coefficients. The ability of the resulting model equations to reproduce global properties like the geometry of the attractor and Lyapunov exponents is demonstrated by treating the numerical solution of a single variable of the Lorenz and Rossler systems in the chaotic regime as the test time series. The equations are found to provide good short term prediction (a few cycle times) but display large errors over large prediction time. The source of this shortcoming and some possible improvements are discussed.