Structural and electronic properties of multilayer graphene on monolayer hexagonal boron nitride/nickel (111) interface system: A van der Waals density functional study

2016 ◽  
Vol 119 (6) ◽  
pp. 065307 ◽  
Author(s):  
Celal Yelgel
Keyword(s):  
Boron Nitride ◽  
Electronic Properties ◽  
Density Functional ◽  
Hexagonal Boron Nitride ◽  
Van Der Waals ◽  
Functional Study ◽  
Multilayer Graphene ◽  
System A ◽  
Structural And Electronic Properties ◽  
Interface System

scholarly journals Formation and Physical Properties of h-BN Atomic Layers: A First-Principles Density-Functional Study

2017 ◽  
Vol 2017 ◽  
pp. 1-6 ◽  
Author(s):  
Yoshitaka Fujimoto
Keyword(s):  
Boron Nitride ◽  
Physical Properties ◽  
Electronic Properties ◽  
First Principles ◽  
Density Functional ◽  
Hexagonal Boron Nitride ◽  
Defect Size ◽  
Functional Study ◽  
Density Functional Study ◽  
The Relationship

Hexagonal boron nitride (h-BN) atomic layers have attracted much attention as a potential device material for future nanoelectronics, optoelectronics, and spintronics applications. This review aims to describe the recent works of the first-principles density-functional study on h-BN layers. We show physical properties induced by introduction of various kinds of defects in h-BN layers. We further discuss the relationship among the defect size, the strain, and the magnetic as well as the electronic properties.

Density functional study of structural and electronic properties of bimetallic silver–gold clusters: Comparison with pure gold and silver clusters

2002 ◽  
Vol 117 (7) ◽  
pp. 3120-3131 ◽  
Author(s):  
Vlasta Bonačić-Koutecký ◽  
Jaroslav Burda ◽  
Roland Mitrić ◽  
Maofa Ge ◽  
Giuseppe Zampella ◽  
...  
Keyword(s):  
Electronic Properties ◽  
Density Functional ◽  
Gold Clusters ◽  
Pure Gold ◽  
Functional Study ◽  
Silver Clusters ◽  
Density Functional Study ◽  
Structural And Electronic Properties

Density functional study of the structural and electronic properties of RuS2(111)

1999 ◽  
Vol 439 (1-3) ◽  
pp. 163-172 ◽  
Author(s):  
M.E. Grillo ◽  
V. Smelyanski ◽  
P. Sautet ◽  
J. Hafner
Keyword(s):  
Electronic Properties ◽  
Density Functional ◽  
Functional Study ◽  
Density Functional Study ◽  
Structural And Electronic Properties

Structural and electronic properties of oxidized sodium clusters: A combined photoelectron and density functional study

2009 ◽  
Vol 131 (20) ◽  
pp. 204313 ◽  
Author(s):  
Kiran Majer ◽  
Ma Lei ◽  
Christian Hock ◽  
Bernd von Issendorff ◽  
Andrés Aguado
Keyword(s):  
Electronic Properties ◽  
Density Functional ◽  
Functional Study ◽  
Density Functional Study ◽  
Sodium Clusters ◽  
Structural And Electronic Properties
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