scholarly journals TIGHT-BINDING POTENTIAL WITH CORRECTION OF BONDING ENVIRONMENT FOR SILICON-HYDROGEN

2001 ◽  
Vol 50 (2) ◽  
pp. 268
Author(s):  
PAN BI-CAI
2000 ◽  
Vol 49 (1) ◽  
pp. 54
Author(s):  
Luo Cheng-lin ◽  
Zhou Yan-huai ◽  
Zhang Yi

2020 ◽  
Vol 310 ◽  
pp. 47-52
Author(s):  
Yuri Ya Gafner ◽  
Svetlana L. Gafner ◽  
Daria A. Ryzhkova

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.


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

1997 ◽  
Vol 491 ◽  
Author(s):  
C. Z. Wang ◽  
B. C. Pan ◽  
M. S. Tang ◽  
H. Haas ◽  
M. Sígalas ◽  
...  

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.


2010 ◽  
Vol 108 (6) ◽  
pp. 063510 ◽  
Author(s):  
Yuanyuan Cui ◽  
Jiahao Li ◽  
Ye Dai ◽  
Baixin Liu

1992 ◽  
Vol 4 (28) ◽  
pp. 6047-6054 ◽  
Author(s):  
C H Xu ◽  
C Z Wang ◽  
C T Chan ◽  
K M Ho

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