Electron self-energy and effective mass in a single heterostructure

In this paper, we investigate the electron self-energy and effective mass in a single heterostructure using Green-function method. Numerical calculations of the electron self-energy and effective mass for GaAs/AlAs heterostructure are performed. The results show that the self energy (effective mass) of electron, which incorporate the energy of electron coupling to interface-optical phonons and half three-dimension LO phonons, monotonically increase(decrease) from that of interface polaron to that of 3D bulk polaron with the increase of the distance between the position of the electron and interface.Comment: 10 pages, 2 figure

Interface control of ferroelectricity in LaNiO3-BaTiO3 superlattices

LaNiO$_{3}$-BaTiO$_{3}$ superlattices with different types of interfaces are studied from first-principles density-functional theory. It is revealed that the ferroelectricity in the superlattice with (NiO$_2$)$^-$/(BaO)$^0$ interfaces is enhanced from that of the superlattice with (LaO)$^+$/(TiO$_2$)$^0$ interfaces. The origin lies at the polar discontinuity at the interface, which makes the holes localized within the (NiO$_2$)$^-$/(BaO)$^0$ interface, but drives a penetration of electrons into BaTiO$_3$ component near (LaO)$^+$/(TiO$_2$)$^0$ interface. Our calculations demonstrate an effective avenue to the robust ferroelectricity in BaTiO$_3$ ultrathin films.Comment: 14 pages, 6 figure

Simulations on the electromechanical poling of ferroelectric ceramics

Based on the two-step-switching model, the process of electromechanical poling of a ferroelectric ceramics is simulated. A difference of the remnant polarizations between two poling protocols (mechanical stress is applied before and after the application of poling field) is found from our simulations, which is also observed in experiment. An explanation is given to illustrate why the remnant polarization for the case that mechanical stress is loaded after the application of electric field is larger than the case that mechanical stress is loaded before the application of electric field. Our simulation results supply a proof for the validity of the two-step-switching model in the electromechanical poling of polycrystalline ferroelectric ceramics.Comment: 11 pages, 2 figure

Charge-to-spin conversion of electron entanglement states and spin-interaction-free solid-state quantum computation

Without resorting to spin-spin coupling, we propose a scalable spin quantum computing scheme assisted with a semiconductor multiple-quantum-dot structure. The techniques of single electron transitions and the nanostructure of quantum-dot cellular automata (QCA) are used to generate charge entangled states of two electrons, which are then converted into spin entanglement states using single-spin rotations only. Deterministic two-qubit quantum gates are also manipulated using only single-spin rotations with the help of QCA. A single-shot readout of spin states can be carried out by coupling the multiple dot structure to a quantum point contact. As a result, deterministic spin-interaction-free quantum computing can be implemented in semiconductor nanostructure.Comment: 5 pages, 4 figures, the revised version of quant-ph/0502002 for publication in Phys. Rev. B (to be appear on the issue of Oct. 15, 2007

Surface Plasmon Enhanced Chemical Reactions on Metal Nanostructures

Noble metal nanomaterials as plasmonic photocatalysts can strongly absorb visible light and generate localized surface plasmon resonance (SPR), which in turn depends on the size, shape, and surrounding of the plasmonic metal nanomaterials (PMNMs). Remarkably, the high-efficiency conversion of solar energy into chemical energy was expected to be achieved by PMNMs. Therefore, researchers have chosen PMNMs to improve the photocatalytic activity toward targeted molecules. This enhancement can be achieved by the effective separation of photogenerated electrons and holes of the PMNMs in the presence of light. Surface-enhanced Raman spectroscopy (SERS) has been performed for obtaining information about the photochemically transformed surface species at molecular levels. A profound understanding of kinetic mechanisms is needed for the development of novel plasmonic catalysts toward various chemical transformations of targeted molecules. In this chapter, based on the above discussions, the participation of SPR excitation in PMNMs and photocatalysis toward chemical transformations of SERS-active organic molecules such as aromatic amino and nitro compounds based on PMNMs have been discussed in detail through theoretical and experimental studies. Eventually, a summary and the future directions of this study are discussed