scholarly journals Measurement of graphite tight-binding parameters using high-field magnetoreflectance

2011 ◽  
Vol 84 (15) ◽  
Author(s):  
L.-C. Tung ◽  
P. Cadden-Zimansky ◽  
J. Qi ◽  
Z. Jiang ◽  
D. Smirnov
Keyword(s):  
High Field ◽  
Tight Binding ◽  
Binding Parameters

scholarly journals Transferable tight-binding parameters: An application to Ni and Ni-Al alloys

1994 ◽  
Vol 49 (16) ◽  
pp. 10918-10925 ◽  
Author(s):  
Marcel H. F. Sluiter ◽  
Prabhakar P. Singh
Keyword(s):  
Tight Binding ◽  
Al Alloys ◽  
Binding Parameters

scholarly journals Environment-Dependent Tight-Binding Potential Model

1997 ◽  
Vol 491 ◽  
Author(s):  
C. Z. Wang ◽  
B. C. Pan ◽  
M. S. Tang ◽  
H. Haas ◽  
M. Sígalas ◽  
...  
Keyword(s):  
Potential Model ◽  
Tight Binding ◽  
Binding Potential ◽  
Tight Binding Model ◽  
Binding Parameters ◽  
Binding Model ◽  
Structures And Properties ◽  
Metallic Systems

ABSTRACTWe have developed a tight-binding model which goes beyond the traditional two-center approximation and allows the tight-binding parameters to scale according to the bonding environment. Our studies show that this environment-dependent tight-binding model improves remarkably the accuracy and transferability of the potential to describe the structures and properties of higher coordinated metallic systems in addition to those of low coordinated covalent systems.

scholarly journals Tight-binding parameters and exchange integrals ofBa2Cu3O4Cl2

1998 ◽  
Vol 57 (21) ◽  
pp. 13660-13666 ◽  
Author(s):  
H. Rosner ◽  
R. Hayn ◽  
J. Schulenburg
Keyword(s):  
Tight Binding ◽  
Binding Parameters

Semi-Empirical Tight-Binding Parameters for Total Energy Calculation in Zinc

1997 ◽  
Vol 491 ◽  
Author(s):  
A. Bere ◽  
A. Hairie ◽  
G. Nouet ◽  
E. Paumier
Keyword(s):  
Total Energy ◽  
Interatomic Potential ◽  
Tight Binding ◽  
Energy Calculation ◽  
Extended Defects ◽  
Binding Parameters ◽  
Total Energy Calculation ◽  
Tight Binding Method ◽  
The Stability ◽  
Semi Empirical

ABSTRACTThe semi-empirical tight-binding method is used to build up an interatomic potential in zinc. Using relaxed structures, the parameters are fitted to the lattice parameters, the elastic constants and the vacancy formation energy. The total energy calculation predicts the stability of the h.c.p. structure. The potential is used to calculate the energy of some extended defects: the basal stacking fault and two twin boundaries.

Generating Transferable Tight-Binding Parameters: Application to Silicon

1989 ◽  
Vol 9 (7) ◽  
pp. 701-706 ◽  
Author(s):  
L Goodwin ◽  
A. J Skinner ◽  
D. G Pettifor
Keyword(s):  
Tight Binding ◽  
Binding Parameters
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