scholarly journals Three-center tight-binding potential model for C and Si

2015 ◽  
Vol 92 (3) ◽  
Author(s):  
Wen-Cai Lu ◽  
C. Z. Wang ◽  
Li-Zhen Zhao ◽  
Wei Qin ◽  
K. M. Ho
Keyword(s):  
Potential Model ◽  
Tight Binding ◽  
Binding Potential

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.

Erratum: Environment-dependent tight-binding potential model

1996 ◽  
Vol 54 (15) ◽  
pp. 10982-10982 ◽  
Author(s):  
M. S. Tang ◽  
C. Z. Wang ◽  
C. T. Chan ◽  
K. M. Ho
Keyword(s):  
Potential Model ◽  
Tight Binding ◽  
Binding Potential

scholarly journals Environment-dependent tight-binding potential model

1996 ◽  
Vol 53 (3) ◽  
pp. 979-982 ◽  
Author(s):  
M. S. Tang ◽  
C. Z. Wang ◽  
C. T. Chan ◽  
K. M. Ho
Keyword(s):  
Potential Model ◽  
Tight Binding ◽  
Binding Potential

scholarly journals Structure Simulation of Nickel Clusters by Transferable Tight－Binding Potential

2000 ◽  
Vol 49 (1) ◽  
pp. 54
Author(s):  
Luo Cheng－lin ◽  
Zhou Yan－huai ◽  
Zhang Yi
Keyword(s):  
Tight Binding ◽  
Binding Potential ◽  
Nickel Clusters ◽  
Structure Simulation

Estimating Ag-Cu Nanoalloy Applicability for PCM Data Recording

2020 ◽  
Vol 310 ◽  
pp. 47-52
Author(s):  
Yuri Ya Gafner ◽  
Svetlana L. Gafner ◽  
Daria A. Ryzhkova
Keyword(s):  
Copper Content ◽  
Removal Rate ◽  
Tight Binding ◽  
Heat Removal ◽  
Binding Potential ◽  
Chemical Compositions ◽  
Internal Structures ◽  
Individual Particles ◽  
Dynamics Method ◽  
Change Memory

The paper studies applicability of individual particles of Ag-Cu nanoalloys as data bits in the next generation memory devices constructed on the phase change memory principle. To fulfill this task, the structure formation was simulated with the molecular dynamics method on cooling from the melt of Ag-Cu nanoparticles of the diameter of 2.0 – 8.0 nm of different chemical compositions (with copper content in the alloy from 10 to 50 percent), based on the modified tight-binding potential (TB-SMA). The authors investigated the influence of the size effects and the heat removal rate on the formation of the clusters structure. The investigation showed that different internal structures can be developed upon cooling from the liquid phase, so there were determined some criteria of their stability. Clusters with copper content of not more than 10% and diameters of more than 6.0 nm were isolated from the entire set of the considered particles.

Proposed truncated Cu–Hf tight-binding potential to study the crystal-to-amorphous phase transition

2010 ◽  
Vol 108 (6) ◽  
pp. 063510 ◽  
Author(s):  
Yuanyuan Cui ◽  
Jiahao Li ◽  
Ye Dai ◽  
Baixin Liu
Keyword(s):  
Phase Transition ◽  
Amorphous Phase ◽  
Tight Binding ◽  
Binding Potential
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