984 resultados para Confined atoms


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The excess Helmholtz free energy functional for associating hard sphere fluid is formulated by using a modified fundamental measure theory [Y. X. Yu and J. Z. Wu, J. Chem. Phys. 117, 10156 (2002)]. Within the framework of density functional theory, the thermodynamic properties including phase equilibria for both molecules and monomers, equilibrium plate-fluid interfacial tensions and isotherms of excess adsorption, average molecule density, average monomer density, and plate-fluid interfacial tension for four-site associating hard sphere fluids confined in slit pores are investigated. The phase equilibria inside the hard slit pores and attractive slit pores are determined according to the requirement that temperature, chemical potential, and grand potential in coexistence phases should be equal and the plate-fluid interfacial tensions at equilibrium states are predicted consequently. The influences of association energy, fluid-solid interaction, and pore width on phase equilibria and equilibrium plate-fluid interfacial tensions are discussed.

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We consider the effect of image forces, arising due to a difference in dielectric permeabilities of the well layer and barrier layers, on the energy spectrum of an electron confined in a rectangular potential well under a magnetic field. Depending on the value and the sign of the dielectric mismatch, image forces can localize electrons near the interfaces of the well or in well centre and change the direct intersubband gaps into indirect ones. These effects can be controlled by variation of the magnetic field, offering possibilities for exact tuning of electronic devices.

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We report on high magnetic fields (up to 40 T) cyclotron resonance, quantum Hall effect and Shubnikov-de-Hass measurements in high frequency transistors based on Si-doped GaN-AlGaN heterojunctions. A simple way of precise modelling of the cyclotron absorption in these heterojunctions is presented, We clearly establish two-dimensional electrons to be the dominant conducting carriers and determine precisely their in-plane effective mass to be 0.230 +/- 0.005 of the free electron effective mass. The increase of the effective mass with an increase of two-dimensional carrier density is observed and explained by the nonparabolicity effect. (C) 1997 American Institute of Physics.

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The cross sections of the 18 electron photoionization and corresponding shake-up processes for Li atoms in the ground state 1s(2)2s and excited states 1s(2)2p, 1s(2)3p, 1s(2)3p and 1s(2)3d are calculated using the multi-configuration Dirac-Fock method. The latest experimental photoelectron spectrum at hv = 100 eV [Cubaynes D et al. Phys. Rev. Lett. 99 (2007) 213004] has been reproduced by the present theoretical investigation excellently. The relative intensity of the shake-up satellites shows that the effects of correlation and relaxation become more important for the higher excited states of the lithium atom, which are explained very well by the spatial overlap of the initial and final state wavefunctions. In addition, strong dependence of the cross section on the atomic orbitals of the valence electrons are found, especially near the threshold.

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The X-ray emission induced by highly charged argon and xenon ions impinging on a beryllium surface is investigated. It is found that spectra of the X-ray induced by Ar-17,Ar-18+ interacting with the surface are very different from those of the X-ray induced by Ar-17,Ar-18+ interacting with residual gases. The result provides an experimental evidence for the existence of hollow atoms below the surface. Several unexpected X-ray lines are also found in the experiment. Firstly, K X-rays are observed when Ar16+ ions which initially have no K shell holes interact with the surface. Secondly, if there are more than 2 M shell vacancies at the initial time, strong M alpha alpha two-electron-one-photon (TEOP) transitions are found in the collisions of Xe-28+,Xe-29+,Xe-30+ ions with the surface.