Structural, electronic and magnetic properties of single transition-metal adsorbed BN sheet: A density functional study

2012 ◽  
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pp. 40-46 ◽  
Author(s):  
Jie Li ◽  
M.L. Hu ◽  
Zhizhou Yu ◽  
J.X. Zhong ◽  
L.Z. Sun
Keyword(s):  
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Transition Metal ◽  
Density Functional ◽  
Functional Study ◽  
Density Functional Study ◽  
Electronic And Magnetic Properties ◽  
Single Transition

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):  
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Fatimah Arofiati Noor ◽  
Toto Winata
Keyword(s):  
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Density Functional ◽  
Functional Study ◽  
Density Functional Study ◽  
Electronic And Magnetic Properties ◽  
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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):  
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Sanjun Wang ◽  
Qingxia Wang ◽  
Xiaolin Cai ◽  
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...  
Keyword(s):  
Magnetic Properties ◽  
Density Functional ◽  
Functional Study ◽  
Density Functional Study ◽  
Electronic And Magnetic Properties ◽  
Hybrid Density Functional
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