Udomsilp Pinsook

ENERGETIC PARTICLE OBSERVATIONS DURING THE 2000 JULY 14 SOLAR EVENT

Data from nine high-latitude neutron monitors are used to deduce the intensity-time and anisotropytime pro—les and pitch-angle distributions of energetic protons near Earth during the major solar event on 2000 July 14 (also known as the Bastille Day event). In addition, particle and magnetic —eld measurements from W ind, the Advanced Composition Explorer, and the Solar and Heliospheric Observatory (SOHO) are used in the analysis. The observations are —tted with good agreement between two independent numerical models of interplanetary transport. The rapid decrease of anisotropy from a high initial value cannot be explained by a simple model of interplanetary transport. Hence, we invoke a barrier or magnetic bottleneck consistent with an observed magnetic disturbance from an earlier coronal mass ejec

Two-dimensional electron transport in MgZnO/ZnO heterostructures: role of interface roughness

Mobility of two-dimensional electron gases in MgZnO/ZnO heterostructures with interface roughness effects was investigated theoretically using path-integral framework. We modelled the roughness-induced fluctuation by including two major effects, i.e. the electron and polarization-induced positive charge concentrations. We showed that both effects cause the scattering potential in the in-plane direction and hence affect the 2D mobility. In this work, we treated both electron and polarization-induced positive charge concentrations as equally important factors and then calculated the electron mobility and compared with the experimental result of Mg0.2Zn0.8O/ZnO heterostructure at high-electron concentrations. We found that the fitting parameters Δ = 0.26 nm, Λ = 2.5 nm gave good description to the mobility data. We also showed that neglecting the polarization-induced positive charge concentration led to overestimating the 2D mobility.

The effects of Na on high pressure phases of CuIn0.5Ga0.5Se2 from ab initio calculation

The effects of Na atoms on high pressure structural phase transitions of CuIn(0.5)Ga(0.5)Se(2) (CIGS) were studied by an ab initio method using density functional theory. At ambient pressure, CIGS is known to have chalcopyrite (I42d) structure. The high pressure phase transitions of CIGS were proposed to be the same as the order in the CuInSe(2) phase transitions which are I42d → Fm3m → Cmcm structures. By using the mixture atoms method, the Na concentration in CIGS was studied at 0.1, 1.0 and 6.25%. The positive mixing enthalpy of Na at In/Ga sites (Na(InGa)) is higher than that of Na at Cu sites (Na(Cu)). It confirmed previous studies that Na preferably substitutes on the Cu sites more than the (In, Ga) sites. From the energy-volume curves, we found that the effect of the Na substitutes is to reduce the hardness of CIGS under high pressure. The most significant effects occur at 6.25% Na. We also found that the electronic density of states of CIGS near the valence band maximum is increased noticeably in the chalcopyrite phase. The band gap is close in the cubic and orthorhombic phases. Also, the Na(Cu)-Se bond length in the chalcopyrite phase is significantly reduced at 6.25% Na, compared with the pure Cu-Se bond length. Consequently, the energy band gap in this phase is wider than in pure CIGS, and the gap increased at the rate of 31 meV GPa(-1) under pressure. The Na has a small effect on the transition pressure. The path of transformation from the cubic to orthorhombic phase was derived. The Cu-Se plane in the cubic phase displaced relatively parallel to the (In, Ga)-Se plane by 18% in order to transform to the Cmcm phase. The enthalpy barrier is 0.020 eV/atom, which is equivalent to a thermal energy of 248 K. We predicted that Fm3m and Cmcm can coexist in some pressure range.

Internal Vibrations of the Li(NH3)4+ Complex Analyzed from Ab Initio, Density Functional Theory, And the Classical Spring Network Model

We report our theoretical findings regarding internal vibrations of the Li(NH 3) 4 (+) complex which have been studied using three different methods, namely, a classical spring network model, density functional theory, and ab initio Hartree-Fock plus Møller-Plesset correlation energy correction truncated at second-order. The equilibrium Li...N and N...N distances are found to be 2.12 and 3.47 A, respectively, in good agreement with the experimental data. The theoretically determined vibrational frequencies of the lowest modes are in good agreement with those extracted from inelastic X-ray scattering measurements. From group theory considerations, the internal vibrations of Li(NH 3) 4 (+) complexes resemble those of a tetrahedral object. Further experimental investigation is suggested.

The hcp to fcc transformation path of scandium trihydride under high pressure

We used density functional theory to calculate the phase stability of the hcp (hexagonal close packed) and the fcc (face centered cubic) structures of ScH3. The hcp form is stable up to 22 GPa according to the generalized gradient approximation calculation. Then the fcc form becomes energetically more stable. In order to provide insight into the phase transition mechanism, we modeled the hcp to fcc transition by sliding the hcp basal planes, i.e. (001)h planes, in such a way that the ABABAB sequence of the hcp form is altered into the ABCABC sequence of the fcc form. This sliding was suggested by the experiment. The configurations of these sliding steps are our proposed intermediate configurations, whose symmetry group is the Cm group. By using the Cm crystallography, we can match the d-spacings from the lattice planes of the hcp and fcc forms and the intermediate planes measured from the experiment. We also calculated the enthalpy per step, from which the energy barrier between the two phases at various pressures was derived. The barrier at 35 GPa is 0.370 eV per formula or 0.093 eV/atom. The movements of the hydrogen atoms during the hcp to intermediate phase transition are consistent with the result from the Raman spectra.

Model of saturated lithium ammonia as a single-component liquid metal

We use the single-component picture and the nearly-free-electron theory for describing collective excitations in the saturated Li-ammonia solution. The physical justification is discussed, and all predictions are compared with current experimental findings. The plasmon dispersion and the long-wavelength dielectric function of the solution can be explained within the homogeneous-electron-gas theory. The parameters r(s) = 7.4a(0) and epsilon(infinity) = 1.44 give a good description compared with inelastic x-ray scattering and optical data. The phonon spectrum of the solution is also examined. Within the scope of the empty core model with R(c) = 3.76a(0), the phonon dispersion at low q is reproduced. The ratio BB(free) = 1.34 is compared with 1.63 obtained from experiments.

Description of low temperature bandtail states in two-dimensional semiconductors using path integral approach

We used the solutions from the variational path integral to suggest a function form of the bandtail states of a two-dimensional system. The analytic solutions provide two regimes, i.e., the ground state (low temperature) and the semiclassical (high temperature) limits. We used the theoretical results to describe the results of the bandtail states in Si/SiO2 heterostructure reported recently (Jock et al., Appl. Phys. Lett. 100, 023503 (2012)). The low-temperature bandtail provided good agreement to the experimental results (sample B) with the parameters of Δ = 0.225 nm, L = 3.55 nm, and a = 5 nm.

Phase stability and superconductivity of strontium under pressure

We have used the ab initio random structure searching method together with density functional theory calculations to find stable structures of strontium under pressures up to 50 GPa. We predict a sequence of structural phase transitions and the stability of an orthorhombic structure of Cmcm symmetry above 25 GPa. Our energy, lattice dynamics, and molecular dynamics calculations confirm the stability of the Cmcm structure. The electron-phonon coupling calculations show that superconductivity arises in the bcc structure of compressed Sr and that it continues to exist in the Cmcm structure. The calculated superconducting transition temperatures are in good agreement with experiment. Our study gives an excellent account of the experimental observations.

Interface roughness effect on density of states and mobility of narrow Si/Si1―xGex quantum wells: path-integral approach

The in-plane transport of a two-dimensional hole gas in narrow Si/Si1?xGex quantum wells (QWs) with the interface roughness effect was investigated using path-integral theory. The random variation of the well width causes the fluctuation potential in the in-plane direction. This fluctuation was integrated into the path integral via the eigenvalue model of the infinite barrier height QW. The hole mobility and the density of states can be derived in an analytic form. The calculated hole mobility was compared with the experimental data and a different theoretical approach based on the wavefunction model. We found that ? = 0.2?nm and ? = 4.5?nm give a good description of the experimental data. Our theory predicted the existence of the localized states, which reduces the hole mobility in addition to the prediction from the wavefunction method.

Role of Symmetry in Coupled Localized Surface Plasmon Resonance of a Nanosphere Pair

We investigated localized surface mode resonance of two nanospheres immersed in a continuum dielectric medium within the framework of quasistatic approximation. We solved the Laplace equation in the bispherical coordinates subjected to the boundary conditions on both spheres. By using the matrix formulation, new method for surface mode resonance calculation is derived in terms of a nonlinear eigenvalue problem. This allows us to discuss the effects of symmetry breaking due to the difference in particle materials and particle sizes. We calculated the surface plasmon resonance (LSPR) energy for pairs of Drude metallic spheres. The solutions show that the LSPR coupling in an asymmetric pair can be interpreted as the coupling between symmetric pairs of its constituent particles. we also analyzed the LSPR excitation sequence to identify the modes of peaks from optical measurement. We found that the ambiguous dipole antibonding sigma mode of the asymmetric Au-Ag pair in the experimental work (Sheikholeslami et al., Nano Lett 10(7):2655–2660, 2010) must be the quadrupole bonding sigma mode.