Model static structure factors and pair-correlation functions for the unpolarized homogeneous electron gas

2001 ◽  
Author(s):  
Giovanni B. Bachelet
Keyword(s):  
Correlation Functions ◽  
Pair Correlation ◽  
Electron Gas ◽  
Static Structure ◽  
Pair Correlation Functions ◽  
Structure Factors

X-Ray Diffraction with Molten AuxMn100-x-Alloys

1995 ◽  
Vol 50 (9) ◽  
pp. 831-836
Author(s):  
R. M. Hagenmayer ◽  
P. Lamparter ◽  
S. Steeb
Keyword(s):  
Correlation Functions ◽  
Short Range ◽  
Short Range Order ◽  
Pair Correlation ◽  
Diffraction Method ◽  
X Ray Diffraction ◽  
Pair Correlation Functions ◽  
X Ray ◽  
Structure Factors ◽  
Total Structure

Abstract The molten alloys Au28.5Mn71.5 and Au68Mn32 are investigated with the energy dispersive X-ray diffraction method which works rather fast so that the evaporation loss of Mn from the molten alloys is kept low. From the observed prepeak follows that both melts are compound-forming but the gold rich melt Au68Mn32 shows only 50% of the short range order existent within the Au28.5Mn71.5 melt. Total structure factors and total pair correlation functions are discussed.

Structure of Molten Sn-Zn-Alloys by Means of Neutron Diffraction

1978 ◽  
Vol 33 (10) ◽  
pp. 1151-1153 ◽  
Author(s):  
Walter Knoll ◽  
Siegfried Steeb
Keyword(s):  
Neutron Diffraction ◽  
Small Angle ◽  
Correlation Functions ◽  
Pair Correlation ◽  
Small Angle Scattering ◽  
Pair Correlation Functions ◽  
Structure Factors ◽  
Angle Scattering ◽  
Total Structure ◽  
Zn Alloys

Abstract Neutron diffraction experiments were performed with four molten Sn-Zn-alloys and the two molten elements Sn and Zn. The total structure factors and the pair correlation functions are given. The observed small angle scattering leads to the result that pairs of equal atoms predominate within the range of medium concentrations.

DIFFUSE LEED INTENSITY CALCULATIONS TAKING INTO ACCOUNT THE PAIR CORRELATION EFFECTS IN PARTIALLY ORDERED OVERLAYER

1999 ◽  
Vol 06 (05) ◽  
pp. 645-649 ◽  
Author(s):  
I. ZASADA ◽  
T. RYCHTELSKA
Keyword(s):  
Correlation Functions ◽  
Sampling Method ◽  
Pair Correlation ◽  
Site Occupancy ◽  
Correlation Effects ◽  
Diffuse Intensity ◽  
Pair Correlation Functions ◽  
Structure Factors ◽  
Intensity Calculations ◽  
Energy Dependent

The elastic diffuse intensity of electrons scattered by a short-range-ordered adlayer depends on the structure factors and on renormalized t matrices for each kind of occupied bonding sites. In many cases, the computation of these structure factors is a crucial point for the application of the general DLEED theory. Their determination necessitates the knowledge of the site-occupancy pair correlation functions. Up to now two procedures removing pair correlation effects from the data have been used for DLEED intensity calculations. The first procedure, the Y-function method, can be applied only in the particular case where there is one kind of chemisorption site. The second one was proposed recently and is based on the sampling of diffuse LEED intensity distributions by conventional spot intensities. The aim of this paper is to study DLEED intensity distribution coming from the sampling method and from the general treatment of DLEED taking into account the pair correlation effects. We take as an example the Pt(111)/CO system. The site-occupancy pair correlation functions of CO adsorbed on Pt(111) are obtained by a Monte Carlo simulation. DLEED intensities are analyzed using the energy-dependent I–V curves.

Structure of Molten Bi-Zn-Alloys by Means of Neutron Diffraction

1983 ◽  
Vol 38 (4) ◽  
pp. 395-398 ◽  
Author(s):  
W. Knoll ◽  
P. Lamparter ◽  
S. Steeb
Keyword(s):  
Neutron Diffraction ◽  
Concentration Dependence ◽  
Correlation Functions ◽  
Pair Correlation ◽  
Nearest Neighbour ◽  
Pair Correlation Functions ◽  
Coordination Numbers ◽  
Structure Factors ◽  
Total Structure ◽  
Zn Alloys

Neutron diffraction experiments were performed with five molten Bi-Zn-alloys and the two molten elements Bi and Zn. The total structure factors and the pair correlation functions are given. The concentration dependence of the experimental nearest neighbour distances and the experimental coordination numbers is in accordance with the segregation behaviour prevailing in these melts.

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