Positron-Lithium Atom and Electron-Lithium Atom Scattering Systems at Intermediate and High Energies

The coupled-channel optical method is used to study positron scattering by atomic lithium at energies ranging from the ionization threshold to 60eV, The present method simultaneously treats the target channels and the positronium （Ps） channels in the coupled-channel method together with the continuum effects via an ab-initio optical potential. Ionization, elastic and inelastic cross sections in target channels, and the total cross section are also reported and compared with other theoretical and experimental data. A comparative study with the corresponding electron-lithium data is also reported.     

First-principles study of electronic structure of transition metal nitride: ReN under normal and high pressure

First-principles calculation was performed using tight-binding LMTO method with local density approximation (LDA) and atomic sphere approximation (ASA) to understand the electronic properties of rhenium nitride. The equilibrium geometries, the electronic band structure, the total and partial DOS are obtained under various pressures and are analyzed in comparison with the available experimental data. The most stable structure of ReN is NiAs like structure. Our results indicate that ReN can be used as a super-hard conductor. We estimated the average electron-phonon coupling constant to be 1.65 and superconducting transition temperature (T_c) is 5.1 K. The T_c value increases with the increase in pressure.     

Resonances in Electron Impact on Atomic Oxygen

The momentum-space coupled-channels-optical （CCO） method is used to study the resonances in electron oxygen collision in the energy region of 9-12 eV, Present results have shown agreement with the available experimental and theoretical results, and new positions of resonances are found by the comparison of total cross sections,     

First principles study of pressure induced structural phase transition in hydrogen storage material—MgH2

First principles calculation were performed using Vienna ab-initio simulation package within the frame work of density functional theory (DFT) to understand the electronic properties of magnesium hydride. At normal pressure, the most stable structure of MgH₂ is rutile type with a wide band gap of 3.52 eV, which agrees well with the available data. A pressure induced semi-conductor to metallic transition at a pressure of 92.54 GPa is predicted. Our results indicate a sequence of pressure induced structural phase transition in MgH₂. The obtained sequence of phase transition was α→γ→β→δ→ε at a pressure of 0.37 GPa, 3.89 GPa,7.23 GPa and 11.26 GPa, respectively. Thus our results indicate that MgH₂ is one of the best hydrogen storage material and the maximum storage capacity achieved was 7.7%.     

Synchronization of a novel fractional order stretch-twist-fold (STF) flow chaotic system and its application to a new authenticated encryption scheme (AES)

In this paper, a new fractional order stretch-twist-fold (STF) flow dynamical system is proposed. The stability analysis of the proposed system equilibria is accomplished and we establish that the system is exhibited chaos even for order less than 3. The active control method is applied to enquire the hybrid phase synchronization between two identical fractional order STF flow chaotic systems. These synchronized systems are applied to formulate an authenticated encryption scheme newly for message (text and image) recovery. It is widely applied in the field of secure communication. Numerical simulations are presented to validate the effectiveness of the proposed theory.     

Electron (positron) impact excitation (2p state) of lithium at intermediate energies

In this work, studies have been carried out to investigate theoretically the electron (positron)-impact-induced 2s → 2p lithium (Li) transition at 20 and 60 eV using the coupled-channel optical method (CCOM). The inelastic differential cross sections (DCS) together with the reduced Stokes parameters ( $\bar P_1$ , $\bar P_2$ , $\bar P_3$ ) and other parameters such as the alignment (γ, $\bar P_l$ ), orientation (L _⊥) and coherence parameters (P ⁺) are reported in the present calculations. Comparison is made with other available theoretical and experimental measurements.     

Antiferromagnetic phase of a 2‐D Wigner crystal

The antiferromagnetic phase of a 2‐D Wigner crystal is investigated, using a localized representation for electrons. In our model, the electrons are located at the lattice sites of a face‐centered square lattice (corresponding to bcc in the 3‐D case). This lattice may be thought of as consisting of two equivalent interpenetrating sublattices. The ground‐state energies of the antiferromagnetic phase of a 2‐D Wigner electron crystal are computed with uniform neutralizing, Gaussian‐type, and Yukawa‐type positive backgrounds in the range of r_s = 5 to 130. The role of correlation energy is suitably taken into account. The possibility of the antiferromagnetic phase of the 2‐D Wigner crystal having a square or circle as the region of occupation in momentum space is also analyzed. The low‐density region favorable for the antiferromagnetic phase of Wigner crystallization is found to be at r_s = 7.0. Our results agree well with experimental and other theoretical results for the 2‐D Wigner crystal. The structure‐dependent Wannier functions, which give proper localized representation for Wigner electrons, are constructed and employed in the calculation for the first time. © 2004 Wiley Periodicals, Inc. Int J Quantum Chem, 2005