Pressure variation of the valence band width in Ge: A self-consistent GW study

2009 ◽  
Vol 79 (15) ◽  
Author(s):  
P. Modak ◽  
A. Svane ◽  
N. E. Christensen ◽  
T. Kotani ◽  
M. van Schilfgaarde
Keyword(s):  
Valence Band ◽  
Pressure Variation ◽  
Band Width ◽  
Self Consistent ◽  
Valence Band Width

Accurate valence band width of diamond

1997 ◽  
Vol 56 (12) ◽  
pp. 7215-7221 ◽  
Author(s):  
I. Jiménez ◽  
L. J. Terminello ◽  
D. G. J. Sutherland ◽  
J. A. Carlisle ◽  
E. L. Shirley ◽  
...  
Keyword(s):  
Valence Band ◽  
Band Width ◽  
Valence Band Width

Core Level Shifts and Grain Boundary Cohesion

1998 ◽  
Vol 4 (S2) ◽  
pp. 766-767
Author(s):  
D. A. Muller
Keyword(s):  
Charge Transfer ◽  
Valence Band ◽  
Core Level ◽  
Level Shift ◽  
The Core ◽  
Metallic Interfaces ◽  
Level Shifts ◽  
Electron Energy Loss ◽  
Valence Band Width

The role of core level shifts at metallic interfaces has often been ignored in electron energy loss spectroscopy (EELS) even though very small changes in bond length can lead to large core level shifts. However, the popular interpretation of core level shifts as measures of charge transfer is highly problematic. For instance, in binary alloys systems, the core level shifts can be the same sign for both atomic constituents[l]. The simple interpretation would require that both atomic species had lost or gained charge. Further, the signs of the core level shifts can be opposite to those expected from electronegativity arguments[2]. A core level shift (CLS) is still possible, even when no charge transfer occurs. As illustrated in Fig. 1, if the valence band width is increased, the position of the center of the valence band with respect to the Fermi energy will change (as the number of electrons remains unchanged).

Electronic Properties and Stability of Silicon Nanoclusters Passivated by Hydrogen

2015 ◽  
Vol 233-234 ◽  
pp. 562-566 ◽  
Author(s):  
Vladimir Baturin ◽  
Sergey Lepeshkin ◽  
Nikita Matsko ◽  
Yurii Uspenskii
Keyword(s):  
Valence Band ◽  
Density Functional ◽  
Silicon Nanoclusters ◽  
Reaction Energy ◽  
Hydrogen Atoms ◽  
Functional Theory ◽  
Cluster Geometry ◽  
Homo Lumo ◽  
Valence Band Width ◽  
Existing Data

The total energy, geometry and electronic spectra of nanoclusters \shm{} ($m=0\ldots11$) are calculated using the evolutionary algorithm and density functional theory (DFT). It is shown, that the features of electron spectrum, namely HOMO-LUMO gap and valence band width, correlate with cluster geometry and stability. The HOMO-LUMO gap becomes wider as the number of hydrogen atoms increases whereas the width of valence band gets lower. The widening of the band gap indicates the increasing of cluster stability which is consistent with existing data on reaction energy.

INVESTIGATION OF THE DENSITY OF STATES IN THE NON-HALF-FILLED TWO BAND PERIODIC ANDERSON MODEL

2006 ◽  
Vol 20 (21) ◽  
pp. 3101-3112
Author(s):  
IGOR KOGOUTIOUK ◽  
HANNA TERLETSKA
Keyword(s):  
Spectral Density ◽  
Density Of States ◽  
Anderson Model ◽  
Applied Pressure ◽  
Band Width ◽  
Green Functions ◽  
Periodic Anderson Model ◽  
Consistent Calculation ◽  
Exchange Effects ◽  
Self Consistent

We study density of states in the symmetrical and asymmetrical two-band periodic Anderson models at various band fillings with self-consistent calculation of the orbital occupancies. The application of the improved truncation approximation for irreducible Green functions that takes into account resonance broadening and band shifting inter-orbital exchange effects, resulted in the appearance of four spectral density moments and four- or five-subbands in the density of states depending upon the parameters of the model. It is shown that closing of the hybridization gap can occur as the result of doping, applied pressure, or change of the f-band width.

PHOTOEMISSION STUDY OF PURE AND Cs-INTERCALATED VSe2

1994 ◽  
Vol 08 (20) ◽  
pp. 1261-1268 ◽  
Author(s):  
H.I. STARNBERG ◽  
H.E. BRAUER ◽  
P.O. NILSSON ◽  
L.J. HOLLEBOOM ◽  
H.P. HUGHES
Keyword(s):  
Charge Transfer ◽  
Band Structure ◽  
Valence Band ◽  
Band Model ◽  
Valence Band Structure ◽  
Band Structure Calculations ◽  
Band Dispersion ◽  
Self Consistent ◽  
Photoemission Study ◽  
Structure Calculations

We report photoemission studies of the valence band structure of VSe 2 and of VSe2 intercalated with Cs. Pure VSe 2 showed significant band dispersion both perpendicular and parallel to the layers, i.e. the valence band of VSe 2 is 3D in character, confirming self-consistent LAPW band structure calculations. After Cs intercalation the perpendicular band dispersion vanished, while that parallel to the layers remained, showing that the valence band structure had become 2D. The observed changes go far beyond the rigid band model, but are largely understandable in terms of intercalation-induced decoupling of the VSe 2 layers, and charge transfer from the Cs.

The evolution of the Kuiper belt during the formation of the outer planets

1999 ◽  
Vol 173 ◽  
pp. 37-44
Author(s):  
M.D. Melita ◽  
A. Brunini
Keyword(s):  
Kuiper Belt ◽  
Outer Planets ◽  
Self Consistent ◽  
Planetary Bodies ◽  
Mass Depletion

AbstractA self-consistent study of the formation of planetary bodies beyond the orbit of Saturn and the evolution of Kuiper disks is carried out by means of an N-body code where accretion and gravitational encounters are considered. This investigation is focused on the aggregation of massive bodies in the outer planetary region and on the consequences of such process in the corresponding cometary belt. We study the link between the bombardment of massive bodies and mass depletion and eccentricity excitation.

Sign in / Sign up

Export Citation Format

Share Document