Energy band structure and electronic transport properties of chlorine-doped polyaniline from ab initio calculations

2017 ◽  
Vol 231 ◽  
pp. 89-94 ◽  
Author(s):  
A.S. Reis ◽  
E.A. Sanches ◽  
H.O. Frota
Keyword(s):  
Band Structure ◽  
Ab Initio Calculations ◽  
Ab Initio ◽  
Transport Properties ◽  
Electronic Transport ◽  
Energy Band ◽  
Energy Band Structure ◽  
Electronic Transport Properties ◽  
Doped Polyaniline

A new ab initio SCF pseudopotential energy band structure for KC8 (abstract)

1983 ◽  
Vol 8 (3-4) ◽  
pp. 215 ◽  
Author(s):  
R.C. Tatar ◽  
S. Rabii ◽  
N.A.W. Holzwarth
Keyword(s):  
Band Structure ◽  
Ab Initio ◽  
Energy Band ◽  
Energy Band Structure

AB initio energy band structure of polysulfur nitride, (SN)x

1975 ◽  
Vol 55 (2) ◽  
pp. 107-108 ◽  
Author(s):  
M. Kertész ◽  
J. Koller ◽  
A. Ažman ◽  
S. Suhai
Keyword(s):  
Band Structure ◽  
Ab Initio ◽  
Energy Band ◽  
Energy Band Structure

Ab initio calculations of quantum transport of Au–GaN–Au nanoscale junctions

RSC Advances ◽  
2014 ◽  
Vol 4 (94) ◽  
pp. 51838-51844 ◽  
Author(s):  
Tian Zhang ◽  
Yan Cheng ◽  
Xiang-Rong Chen
Keyword(s):  
Density Functional Theory ◽  
Ab Initio Calculations ◽  
Ab Initio ◽  
Transport Properties ◽  
Quantum Transport ◽  
Electronic Transport ◽  
Density Functional ◽  
Function Method ◽  
Functional Theory ◽  
Non Equilibrium Green’S Function

We investigate the contact geometry and electronic transport properties of a GaN pair sandwiched between Au electrodes by performing density functional theory plus the non-equilibrium Green's function method.

Band structure and electronic transport properties of the superconductor NbO

1992 ◽  
Vol 46 (21) ◽  
pp. 14001-14004 ◽  
Author(s):  
W. W. Schulz ◽  
L. Forro ◽  
C. Kendziora ◽  
R. Wentzcovitch ◽  
D. Mandrus ◽  
...  
Keyword(s):  
Band Structure ◽  
Transport Properties ◽  
Electronic Transport ◽  
Electronic Transport Properties
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