Electronic properties of graphene nanoribbons: A density functional investigation

2015 ◽  
Author(s):  
Sandeep Kumar ◽  
Hitesh Sharma
Keyword(s):  
Electronic Properties ◽  
Density Functional ◽  
Graphene Nanoribbons ◽  
Functional Investigation

Geometries and Electronic Properties of the Neutral and Charged Rare Earth Yb-Doped Sin(n= 1−6) Clusters:  A Relativistic Density Functional Investigation

2006 ◽  
Vol 110 (11) ◽  
pp. 4071-4079 ◽  
Author(s):  
Run-Ning Zhao ◽  
Zhao-Yu Ren ◽  
Ping Guo ◽  
Jin-Tao Bai ◽  
Chong-Hui Zhang ◽  
...  
Keyword(s):  
Rare Earth ◽  
Electronic Properties ◽  
Density Functional ◽  
Functional Investigation

AB-INITIO CALCULATIONS OF ELECTRONIC PROPERTIES AND QUANTUM TRANSPORT IN U-SHAPED GRAPHENE NANORIBBONS

2012 ◽  
Vol 01 (03) ◽  
pp. 1250030 ◽  
Author(s):  
NGUYEN TIEN CUONG ◽  
HIROSHI MIZUTA ◽  
BACH THANH CONG ◽  
NOBUO OTSUKA ◽  
DAM HIEU CHI
Keyword(s):  
Ab Initio Calculations ◽  
Ab Initio ◽  
Electronic Properties ◽  
Quantum Transport ◽  
Density Functional ◽  
Bound States ◽  
Graphene Nanoribbons ◽  
Ion Beam ◽  
Basis Set ◽  
Nano Scale

Graphene is a promising candidate as a material used in nano-scale devices because of recent developments in advanced experimental techniques. Motivated by recent successful fabrications of U-shaped graphene channel transistors by using the gallium focused ion beam technology, we have performed ab-initio calculations to investigate the electronic properties and quantum transport in U-shaped graphene nanoribbons. The electronic properties are calculated using a numerical atomic orbital basis set in the framework of the density functional theory. The transport properties are investigated using the non-equilibrium Green's function method. The transmission spectra of U-shaped graphenes are analyzed in order to reveal the quantum transport of the systems. We found that the graphene nanoribbons tend to open a band gap when U-shaped structures are formed in both armchair and zigzag cases. The geometrical structures of U-shaped GNRs had enormous influences on the electron transport around the Fermi energy due to the formation of quasi-bound states at zigzag edges. The obtained results have provided valuable information for designing potential nano-scale devices based on graphenes.

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