scholarly journals Density functional study on the electronic and magnetic properties of two-dimensional hexagonal boron nitride containing vacancy

2013 ◽  
Vol 62 (20) ◽  
pp. 203101
Author(s):  
Wei Zhe ◽  
Yuan Jian-Mei ◽  
Li Shun-Hui ◽  
Liao Jian ◽  
Mao Yu-Liang
Keyword(s):  
Magnetic Properties ◽  
Boron Nitride ◽  
Density Functional ◽  
Hexagonal Boron Nitride ◽  
Functional Study ◽  
Two Dimensional ◽  
Density Functional Study ◽  
Electronic And Magnetic Properties

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

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.

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