scholarly journals Band gap modulation of bilayer graphene by single and dual molecular doping: A van der Waals density-functional study

2014 ◽  
Vol 616-617 ◽  
pp. 75-80 ◽  
Author(s):  
Tao Hu ◽  
Iann C. Gerber
Keyword(s):  
Band Gap ◽  
Density Functional ◽  
Van Der Waals ◽  
Bilayer Graphene ◽  
Functional Study ◽  
Density Functional Study ◽  
Molecular Doping ◽  
Band Gap Modulation

scholarly journals Potassium intercalation in graphite: A van der Waals density-functional study

2007 ◽  
Vol 76 (15) ◽  
Author(s):  
Eleni Ziambaras ◽  
Jesper Kleis ◽  
Elsebeth Schröder ◽  
Per Hyldgaard
Keyword(s):  
Density Functional ◽  
Van Der Waals ◽  
Functional Study ◽  
Density Functional Study

Magnetic exchange interactions and band gap bowing in NixMg1−xO (0.0 ≤ x ≤ 1.0): A GGA+U density functional study

2019 ◽  
Vol 126 (23) ◽  
pp. 233904
Author(s):  
Sayandeep Ghosh ◽  
Suchit Kumar Jena ◽  
Pankaj Kumar Mishra ◽  
Mohindar S. Seehra ◽  
Subhash Thota
Keyword(s):  
Band Gap ◽  
Density Functional ◽  
Exchange Interactions ◽  
Functional Study ◽  
Magnetic Exchange ◽  
Density Functional Study
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