AB INITIO LONG-WAVELENGTH PROPERTIES OF METALLIC SYSTEMS: IRON AND MAGNESIUM

The excitation spectrum in the region of the intraband (Dirac plasmon) and interband ( π plasmon) plasmons in graphene/Pt-skin terminated Pt 3 Ni(111) is reproduced by using an ab-initio method and an empirical model. The results of both methods are compared with experimental data. We discover that metallic screening by the Pt layer converts the square-root dispersion of the Dirac plasmon into a linear acoustic-like plasmon dispersion. In the long-wavelength limit, the Pt d electron excitations completely quench the π plasmon in graphene at about 4.1 eV, that is replaced by a broad peak at about 6 eV. Owing to a rather large graphene/Pt-skin separation (≈3.3 Å), the graphene/Pt-skin hybridization becomes weak at larger wave vectors, so that the π plasmon is recovered with a dispersion as in a free-standing graphene.

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Activated Prominences; Mechanisms for Activation and Eruption

International Astronomical Union Colloquium ◽

10.1017/s0252921100065714 ◽

1979 ◽

Vol 44 ◽

pp. 307-313

Author(s):

D.S. Spicer

Keyword(s):

Pressure Gradient ◽

Density Gradient ◽

Current Density ◽

Convective Instability ◽

Tearing Mode ◽

Magnetic Shear ◽

Long Wavelength ◽

Ideal Mhd ◽

Gradient Change ◽

Accelerated Particles

A possible relationship between the hot prominence transition sheath, increased internal turbulent and/or helical motion prior to prominence eruption and the prominence eruption (“disparition brusque”) is discussed. The associated darkening of the filament or brightening of the prominence is interpreted as a change in the prominence’s internal pressure gradient which, if of the correct sign, can lead to short wavelength turbulent convection within the prominence. Associated with such a pressure gradient change may be the alteration of the current density gradient within the prominence. Such a change in the current density gradient may also be due to the relative motion of the neighbouring plages thereby increasing the magnetic shear within the prominence, i.e., steepening the current density gradient. Depending on the magnitude of the current density gradient, i.e., magnetic shear, disruption of the prominence can occur by either a long wavelength ideal MHD helical (“kink”) convective instability and/or a long wavelength resistive helical (“kink”) convective instability (tearing mode). The long wavelength ideal MHD helical instability will lead to helical rotation and thus unwinding due to diamagnetic effects and plasma ejections due to convection. The long wavelength resistive helical instability will lead to both unwinding and plasma ejections, but also to accelerated plasma flow, long wavelength magnetic field filamentation, accelerated particles and long wavelength heating internal to the prominence.

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Ab initio band theory approach to electron energy loss near edge structures

Proceedings, annual meeting, Electron Microscopy Society of America ◽

10.1017/s0424820100104595 ◽

1988 ◽

Vol 46 ◽

pp. 506-507

Author(s):

Xudong Weng ◽

O.F. Sankey ◽

Peter Rez

Keyword(s):

Ab Initio ◽

Local Density ◽

Interpolation Method ◽

Atomic Orbital ◽

Plane Waves ◽

Large Set ◽

Theory Approach ◽

Band Theory ◽

Atomic Orbitals ◽

Pseudopotential Calculations

Single electron band structure techniques have been applied successfully to the interpretation of the near edge structures of metals and other materials. Among various band theories, the linear combination of atomic orbital (LCAO) method is especially simple and interpretable. The commonly used empirical LCAO method is mainly an interpolation method, where the energies and wave functions of atomic orbitals are adjusted in order to fit experimental or more accurately determined electron states. To achieve better accuracy, the size of calculation has to be expanded, for example, to include excited states and more-distant-neighboring atoms. This tends to sacrifice the simplicity and interpretability of the method.In this paper. we adopt an ab initio scheme which incorporates the conceptual advantage of the LCAO method with the accuracy of ab initio pseudopotential calculations. The so called pscudo-atomic-orbitals (PAO's), computed from a free atom within the local-density approximation and the pseudopotential approximation, are used as the basis of expansion, replacing the usually very large set of plane waves in the conventional pseudopotential method. These PAO's however, do not consist of a rigorously complete set of orthonormal states.

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