First-principles study of phthalocyanine-based multifunctional spintronic molecular device

2021 ◽  
Author(s):  
Yang Song ◽  
Chuankui Wang ◽  
Gang Chen ◽  
Guang-Ping Zhang
Keyword(s):  
Transport Properties ◽  
First Principles ◽  
Graphene Nanoribbon ◽  
Molecular Device ◽  
First Principles Study ◽  
Spin Dependent Transport ◽  
Dependent Transport ◽  
First Principles Method

By using the first-principles method, we theoretically investigate the spin-dependent transport properties of a phthalocyanine (Pc) molecule which is sandwiched between two zigzag-edged graphene nanoribbon (zGNR) electrodes. Owing to the...

A first-principles study on transport properties of polyacene in zigzag graphene nanoribbon: Configuration, length and doping effects

2019 ◽  
Vol 126 (10) ◽  
pp. 104501
Author(s):  
Zhixiong Yang ◽  
Jiangling Pan ◽  
Xue Cheng ◽  
Xiang Xiong ◽  
Fangping Ouyang
Keyword(s):  
Transport Properties ◽  
First Principles ◽  
Graphene Nanoribbon ◽  
First Principles Study ◽  
Doping Effects
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