Electronic properties of C-doped boron nitride nanotubes studied by first-principles calculations

2014 ◽  
Vol 64 ◽  
pp. 123-128 ◽  
Author(s):  
Tong Zhao ◽  
Jianhao Shi ◽  
Meng Huo ◽  
Rundong Wan
Keyword(s):  
Boron Nitride ◽  
Electronic Properties ◽  
First Principles ◽  
Boron Nitride Nanotubes ◽  
First Principles Calculations

First-Principles Calculations on Boron–Nitride Nanotubes

2004 ◽  
Vol 73 (9) ◽  
pp. 2469-2472 ◽  
Author(s):  
Noejung Park ◽  
Jongweon Cho ◽  
Hisashi Nakamura
Keyword(s):  
Boron Nitride ◽  
First Principles ◽  
Boron Nitride Nanotubes ◽  
First Principles Calculations

Electronic and magnetic properties of BN nanosheet superlattices: First-principles calculations

2018 ◽  
Vol 32 (31) ◽  
pp. 1850348
Author(s):  
Xiao-Qin Feng ◽  
Hong-Xia Lu ◽  
Jian-Ming Jia ◽  
Chang-Shun Wang
Keyword(s):  
Magnetic Properties ◽  
Boron Nitride ◽  
Ab Initio Calculations ◽  
Ab Initio ◽  
Electronic Properties ◽  
First Principles ◽  
First Principles Calculations ◽  
Electronic And Magnetic Properties ◽  
Boron Nitride Nanosheet

Systematic ab initio calculations reveal that the electronic and magnetic properties are modified by superlattices of zigzag and armchair Boron nitride nanosheet (BNNS). Superlattices are constructed by partially hydrogenated B and N atoms of BNNS. The results show that only no more than half N atoms hydrogenated superlattices are antiferromagnetic. The electronic properties of zigzag BN nanosheet superlattices depend on the degree of hydrogenation of N atoms sensitively. As a result, changing the degree of hydrogenation of N atoms results in the transition from semiconductor to metal.

Structural stability and electronic properties of an octagonal allotrope of two dimensional boron nitride

2017 ◽  
Vol 46 (13) ◽  
pp. 4259-4264 ◽  
Author(s):  
Lauren Takahashi ◽  
Keisuke Takahashi
Keyword(s):  
Boron Nitride ◽  
Electronic Properties ◽  
Structural Stability ◽  
First Principles ◽  
Two Dimensional ◽  
First Principles Calculations

An octagonal allotrope of two dimensional boron nitride is explored through first principles calculations.

The mechanical and electronic properties of o-Fe2C, h-Fe3C, t-Fe5C2, m-Fe5C2 and h-Fe7C3 compounds: First-principles calculations

2021 ◽  
Vol 606 ◽  
pp. 412825
Author(s):  
Wei-Hong Liu ◽  
Wei Zeng ◽  
Fu-Sheng Liu ◽  
Bin Tang ◽  
Qi-Jun Liu ◽  
...  
Keyword(s):  
Electronic Properties ◽  
First Principles ◽  
First Principles Calculations
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