Composition dependence of bulk and surface phonon-polaritons in ternary mixed crystals are studied in the framework of the modified random-element-isodisplacement model and the Bom-Huang approximation. The numerical results for Several Ⅱ - Ⅵ and Ⅲ- Ⅴ compound systems are performed, and the polariton frequencies as functions of the compositions for ternary mixed crystals AlxGa1-xAs, GaPxAS1-x, ZnSxSe1-x, GaAsxSb1-x, GaxIn1-xP, and ZnxCd1-xS as examples are given and discussed. The results show that the dependence of the energies of two branches of bulk phonon-polaritons which have phonon-like characteristics, and surface phonon-polaritons on the compositions of ternary mixed crystals are nonlinear and different from those of the corresponding binary systems.
Based on ab initio total energy calculations, the structural, electronic, mechanic, and magnetic properties of PdHx are investigated. It is found that bulk modulus of PdHx is larger than the metM Pd with the hydrogen storage except Pd4H2. The calculated results for the magnetic moments show that the hydrogen addition weakens the magnetic properties of the PdHx systems. A strong magneto-volume effect is found in PdHx structures as well as Pd. The transition from paramagnetism to ferromagnetism is discussed. The corresponding densities of states for both structures are also shown to understand the magnetic behaviour.
The variational method and the effective mass approximation are used to calculate the phonon effects on the hydrogenic impurity states in a cylindrical quantum wire with finite deep potential by taking both the couplings of the electron-confined bulk longitudinal optical（LO） phonons and the impurity-ion-LO phonons into account.The binding energies and the phonon contributions are calculated as functions of the transverse dimension of the quantum wire.The results show that the polaronic effect induced by the electron-LO phonon coupling and the screening effect induced by the impurity-ion-LO phonon coupling tend to compensate each other and the total effects reduce the impurity binding energies.
The thermodynamic properties of linear protein solutions are discussed by a statistical me-chanics theory with a lattice model. The numerical results show that the Gibbs function of the solution decreases, and the protein chemical potential is enhanced with increase of the protein concentration for dilute solutions. The influences of chain length and temperature on the Gibbs function of the solution as well as the protein chemical potential are analyzed.As an application of the theory, the chemical potentials of some mutants of type I antifreeze proteins are computed and discussed.
The binding energy of a bound polaron in a finite parabolic quantum well is studied theoretically by a fractional- dimensional variational method. The numerical results for the binding energies of the bound polaron and longitudinal-optical phonon contributions in GaAs/Al0.3 Ga0.7 AS parabolic quantum well structures are obtained as functions of the well width. It is shown that the binding energies of the bound polaron are obviously reduced by the electron-phonon interaction and the phonon contribution is observable and cannot be neglected.
