scholarly journals Ab-initio calculations of electronic, transport, and structural properties of boron phosphide

2014 ◽  
Vol 116 (10) ◽  
pp. 103711 ◽  
Author(s):  
J. I. Ejembi ◽  
I. H. Nwigboji ◽  
L. Franklin ◽  
Y. Malozovsky ◽  
G. L. Zhao ◽  
...  
Keyword(s):  
Ab Initio Calculations ◽  
Ab Initio ◽  
Structural Properties ◽  
Electronic Transport ◽  
Boron Phosphide

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.

scholarly journals <i>Ab-Initio</i> Computations of Electronic, Transport, and Structural Properties of <i>zinc-blende</i> Beryllium Selenide (<i>zb</i>-BeSe)

2017 ◽  
Vol 08 (04) ◽  
pp. 552-566 ◽  
Author(s):  
Richard Inakpenu ◽  
Cheick Bamba ◽  
Ifeanyi H. Nwigboji ◽  
Lashounda Franklin ◽  
Yuriy Malozovsky ◽  
...  
Keyword(s):  
Ab Initio ◽  
Structural Properties ◽  
Electronic Transport ◽  
Zinc Blende
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