Short-range order and the electronic structure of a one-dimensional liquid metal

1975 ◽  
Vol 11 (10) ◽  
pp. 3678-3686 ◽  
Author(s):  
H. Kenneth Peterson ◽  
Lawrence M. Schwartz ◽  
William H. Butler
Keyword(s):  
Electronic Structure ◽  
Liquid Metal ◽  
Short Range ◽  
Short Range Order ◽  
Range Order ◽  
One Dimensional

Interdiffusion in Short-Wavelength Modulated Materials Studied by Monte-Carlo Simulations

1987 ◽  
Vol 103 ◽  
Author(s):  
M. Atzmon
Keyword(s):  
Monte Carlo ◽  
Monte Carlo Simulations ◽  
Interdiffusion Coefficient ◽  
Short Range ◽  
Short Range Order ◽  
Range Order ◽  
One Dimensional ◽  
Interdiffusion Process ◽  
Limiting Value ◽  
Modulation Wavelength

ABSTRACTInterdiffusion in a two-dimensional compositionally modulated lattice has been studied by Monte-Carlo simulations. In the initial stages, the interdiffusion coefficient has been observed to change with time due to the development of short-range order simultaneously with the interdiffusion process. When the short-range order parameter approached its limiting value, the diffusion coefficient approached a constant value. The dependence of the interdiffusion coefficient on the modulation wavelength does not agree with the prediction of one-dimensional theories. For ordering alloy systems, the effective interdiffusion coefficient is positive, i.e., an initially present modulation decays in time, for all wavelengths.

Effects of short-range order and interfacial interactions on the electronic structure of two-dimensional antimony-arsenic alloys

2020 ◽  
Vol 127 (2) ◽  
pp. 025305
Author(s):  
Qi An ◽  
Matthieu Fortin-Deschênes ◽  
Guanghua Yu ◽  
Oussama Moutanabbir ◽  
Hong Guo
Keyword(s):  
Electronic Structure ◽  
Short Range ◽  
Short Range Order ◽  
Range Order ◽  
Two Dimensional ◽  
Interfacial Interactions

Local Electronic Structure and Short-Range Order in a Computer Simulated Amorphous Metal

1991 ◽  
Vol 02 (01) ◽  
pp. 232-237 ◽  
Author(s):  
A.Ya. BELENKII ◽  
M.A. FRADKIN
Keyword(s):  
Electronic Structure ◽  
Short Range ◽  
Short Range Order ◽  
Local Density ◽  
Tight Binding ◽  
Amorphous Metal ◽  
Range Order ◽  
Tight Binding Approximation ◽  
Electronic Parameters ◽  
Local Electronic Structure

The relationship between topological short-range order and a local electronic structure was analyzed in the computer model of an amorphous metal. The model, obtained by means of the original self-consistent cluster simulation procedure was studied with the use of Voronoi tesselation, the distribution of the atomic level stresses and the icosahedral order parameters. It was found that a marked correlation exists within 2 atomic parameter groups, one of which corresponds to the local dilatation and the other to the spherical symmetry distortion. The local density of electronic d-states (DOS) and the distribution of the electronic parameters was analyzed. The local electronic structure, calculated within the tight-binding approximation, appears to depend on the local atomic order by two-fold means: the interatomic distances decrease leads to the increase of the local bandwidth, and the icosahedral configuration distortion reduces the DOS at the Fermi level. The study of the local configurations stability shows, that the most stable configurations are the slightly distorted icosahedra.

Electronic Structure, Multiatom Interactions, Stability of Ordered Structures and Short Range Order in Binary Transition Metal Alloys

1982 ◽  
Vol 21 ◽  
Author(s):  
A. Bieber ◽  
F. GAUTIER
Keyword(s):  
Electronic Structure ◽  
Transition Metal ◽  
Short Range ◽  
Short Range Order ◽  
Range Order ◽  
Metal Alloys ◽  
Ordered Structures ◽  
Transition Metal Alloys ◽  
The Stability ◽  
Pair Interactions

ABSTRACTMlultiatom interactions required in the statistical models used for the study of both the stability of ordered structures in the ground state and the chemical short range order, have been computed from the electronic structure for transition metal alloys. It is shown that : i) the most important interactions coming from “d” bands are those corresponding to self-retraced paths, the contributions of compact clusters being negligible ; ii) in general the results obtained using only second order pair interactions are valid provided that the concentration dependence of the pair interactions is taken into account. However in a few peculiar cases these results may be qualitatively modified.

Short-range order and its effect on the electronic structure of binary alloys: CuZn — a case study

Pramana ◽  
2008 ◽  
Vol 70 (2) ◽  
pp. 221-235 ◽  
Author(s):  
Abhijit Mookerjee ◽  
Kartick Tarafder ◽  
Atisdipankar Chakrabarti ◽  
Kamal Krishna Saha
Keyword(s):  
Electronic Structure ◽  
Short Range ◽  
Short Range Order ◽  
Binary Alloys ◽  
Range Order

scholarly journals EFFECT OF SHORT RANGE ORDER ON THE ELECTRONIC STRUCTURE OF DISORDERED TRANSITION ALLOYS

1977 ◽  
Vol 38 (C7) ◽  
pp. C7-285-C7-288 ◽  
Author(s):  
M. CYROT ◽  
F. CYROT-LACKMANN ◽  
M. C. DESJONQUÈRES ◽  
J. P. GASPARD
Keyword(s):  
Electronic Structure ◽  
Short Range ◽  
Short Range Order ◽  
Range Order
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