The origin of p-type conduction in Li-N codoped ZnO: An ab initio calculation study

2011 ◽  
Vol 110 (1) ◽  
pp. 013711 ◽  
Author(s):  
Xin Tang ◽  
Xiangfeng Cheng ◽  
Dustin Wagner ◽  
Haifeng Lü ◽  
Qingyu Zhang
Keyword(s):  
Ab Initio ◽  
Ab Initio Calculation ◽  
P Type ◽  
Type Conduction

Effective field theory and Ab-initio calculation of p-type (Ga, Fe)N within LDA and SIC approximation

2013 ◽  
Vol 330 ◽  
pp. 141-146 ◽  
Author(s):  
E. Salmani ◽  
O. Mounkachi ◽  
H. Ez-Zahraouy ◽  
A. El Kenz ◽  
M. Hamedoun ◽  
...  
Keyword(s):  
Field Theory ◽  
Ab Initio ◽  
Effective Field Theory ◽  
Ab Initio Calculation ◽  
Effective Field ◽  
P Type

AB INITIO CALCULATION OF NH3 SPECTRUM

2016 ◽  
Author(s):  
Oleg Polyansky ◽  
Nikolay Zobov ◽  
Andrey Yachmenev ◽  
Sergei Yurchenko ◽  
Jonathan Tennyson ◽  
...  
Keyword(s):  
Ab Initio ◽  
Ab Initio Calculation

Atomic and Electronic Structure of Boron-Doped Diamond Grain Boundaries Studied by Arhvtem and ab-Initio Calculation

2003 ◽  
Vol 764 ◽  
Author(s):  
Hiroyuki Togawa ◽  
Hideki Ichinose
Keyword(s):  
Ab Initio ◽  
Grain Boundaries ◽  
Ab Initio Calculation ◽  
Structure Model ◽  
Boron Doped Diamond ◽  
Boron Doped ◽  
Transmission Electron ◽  
Diamond Grain ◽  
Electron Energy Loss ◽  
Atomic And Electronic Structure

AbstractAtomic resolution high-voltage transmission electron microscopy and electron energy loss spectroscopy were performed on grain boundaries of boron-doped diamond, cooperated with the ab-initio calculation. Segregated boron in the {112}∑3 boundary was caught by the EELS spectra. The change in atomic structure of the segregated boundary was successfully observed from the image by ARHVTEM. Based on the ARHVTEM image, a segregted structure model was proposed.

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