Density Functional Study on the Structural, Electronic, and Magnetic Properties of 3d Transition-Metal-Doped Au5 Clusters

2014 ◽  
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pp. 4005-4012 ◽  
Author(s):  
Zheng Ben-Xia ◽  
Die Dong ◽  
Wang Ling ◽  
Yang Ji-Xian
Keyword(s):  
Magnetic Properties ◽  
Transition Metal ◽  
Density Functional ◽  
Functional Study ◽  
Density Functional Study ◽  
Electronic And Magnetic Properties ◽  
Metal Doped

scholarly journals Effect of the number of nitrogen dopants on the electronic and magnetic properties of graphitic and pyridinic N-doped graphene – a density-functional study

RSC Advances ◽  
2021 ◽  
Vol 11 (30) ◽  
pp. 18371-18380
Author(s):  
Erik Bhekti Yutomo ◽  
Fatimah Arofiati Noor ◽  
Toto Winata
Keyword(s):  
Magnetic Properties ◽  
Density Functional ◽  
Functional Study ◽  
Density Functional Study ◽  
Electronic And Magnetic Properties ◽  
Doped Graphene ◽  
Dopant Atoms ◽  
Pyridinic N

The number of dopant atoms is a parameter that can effectively tune the electronic and magnetic properties of graphitic and pyridinic N-doped graphene.

scholarly journals Electronic and magnetic properties of N-N split substitution in GaAs: A hybrid density functional study

AIP Advances ◽  
2015 ◽  
Vol 5 (7) ◽  
pp. 077187 ◽  
Author(s):  
Ruiqi Huang ◽  
Sanjun Wang ◽  
Qingxia Wang ◽  
Xiaolin Cai ◽  
Chong Li ◽  
...  
Keyword(s):  
Magnetic Properties ◽  
Density Functional ◽  
Functional Study ◽  
Density Functional Study ◽  
Electronic And Magnetic Properties ◽  
Hybrid Density Functional
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