A Density Functional Investigation of the Geometrical and Electronic Structure of the SiCln and SiCln- Series, n = 1-5

1994 ◽  
Vol 98 (6) ◽  
pp. 1570-1575 ◽  
Author(s):  
G. L. Gutsev
Keyword(s):  
Electronic Structure ◽  
Density Functional ◽  
Functional Investigation

Density functional investigation of the geometric and electronic structure of ethylene adsorbed on Si(001)

1998 ◽  
Vol 108 (23) ◽  
pp. 9868-9876 ◽  
Author(s):  
U. Birkenheuer ◽  
U. Gutdeutsch ◽  
N. Rösch ◽  
A. Fink ◽  
S. Gokhale ◽  
...  
Keyword(s):  
Electronic Structure ◽  
Density Functional ◽  
Functional Investigation

Study of the electronic structure, stability and magnetic quenching of CrGen (n = 1–17) clusters: a density functional investigation

RSC Advances ◽  
2015 ◽  
Vol 5 (101) ◽  
pp. 83004-83012 ◽  
Author(s):  
Kapil Dhaka ◽  
Debashis Bandyopadhyay
Keyword(s):  
Electronic Structure ◽  
Ground State ◽  
Density Functional ◽  
Structure Stability ◽  
Functional Investigation ◽  
Enhanced Stability

The current DFT based study of CrGen (n = 1–20) series shows that the enhanced stability of the ground state clusters CrGe10 and CrGe14 can be explained by means of 18-electron rule. However, it cannot be applied for highly symmetric CrGe12 cluster.

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