Possible efficient p-type doping of AlN using Be: An ab initio study

2007 ◽  
Vol 91 (15) ◽  
pp. 152110 ◽  
Author(s):  
R. Q. Wu ◽  
L. Shen ◽  
M. Yang ◽  
Z. D. Sha ◽  
Y. Q. Cai ◽  
...  
Keyword(s):  
Ab Initio ◽  
Ab Initio Study ◽  
P Type

Ab-Initio Study of Dopant Interstitials in 4H-SiC

2005 ◽  
Vol 483-485 ◽  
pp. 523-526 ◽  
Author(s):  
Alexander Mattausch ◽  
M. Bockstedte ◽  
Oleg Pankratov
Keyword(s):  
Ab Initio ◽  
Ab Initio Method ◽  
Ab Initio Study ◽  
Nitrogen And Phosphorus ◽  
P Type

We investigated the the interstitial configurations of the p-type dopants boron and aluminum and the n-type dopants nitrogen and phosphorus in 4H-SiC by an ab initio method. In particular, the energetics of these defects provides information on the dopant migration mechanisms. The transferability of the earlier results on the boron migration in 3C-SiC to the hexogonal polytype 4H-SiC is verified. Our calculations suggest that for the aluminum migration a kick-out mechanism prevails, whereas nitrogen and phosphorus diffuse via an interstitialcy mechanism.

scholarly journals High-Performance 2D p-Type Transistors Based on GaSe Layers: An Ab Initio Study

2017 ◽  
Vol 3 (2) ◽  
pp. 1600399 ◽  
Author(s):  
Agnieszka Kuc ◽  
Teresa Cusati ◽  
Elias Dib ◽  
Augusto F. Oliveira ◽  
Alessandro Fortunelli ◽  
...  
Keyword(s):  
Ab Initio ◽  
High Performance ◽  
Ab Initio Study ◽  
P Type

scholarly journals Ab initio Study of Anchoring Groups for CuGaO2 Delafossite-Based p-Type Dye Sensitized Solar Cells

2019 ◽  
Vol 7 ◽  
Author(s):  
Ana B. Muñoz-García ◽  
Laura Caputo ◽  
Eduardo Schiavo ◽  
Carmen Baiano ◽  
Pasqualino Maddalena ◽  
...  
Keyword(s):  
Solar Cells ◽  
Ab Initio ◽  
Dye Sensitized Solar Cells ◽  
Ab Initio Study ◽  
Dye Sensitized ◽  
Anchoring Groups ◽  
P Type ◽  
Sensitized Solar Cells

Boron position-dependent surface reconstruction and electronic states of a boron-doped diamond(111) surfaces: an ab initio study

2021 ◽  
Author(s):  
Le The Anh ◽  
Francesca Celine I. Catalan ◽  
Yousoo Kim ◽  
Yasuaki Einaga ◽  
Yoshitaka Tateyama
Keyword(s):  
Ab Initio ◽  
Surface Reconstruction ◽  
Electronic States ◽  
Surface States ◽  
Ab Initio Study ◽  
Boron Doped Diamond ◽  
Boron Doped ◽  
P Type

Dependence of DOS on the boron's positions on a diamond(111) surface. In the bulk, boron interacts with carbon sp3 and shows p-type characters. On the surface, boron strongly interacts with carbon sp2 and exhibits surface states in the midgap.

scholarly journals Charge carrier transport and lifetimes in n-type and p-type phosphorene as 2D device active materials: an ab initio study

2016 ◽  
Vol 18 (32) ◽  
pp. 22706-22711 ◽  
Author(s):  
E. Tea ◽  
C. Hin
Keyword(s):  
Charge Carrier ◽  
Ab Initio ◽  
First Principles ◽  
Carrier Transport ◽  
Charge Carrier Transport ◽  
First Principles Calculations ◽  
Ab Initio Study ◽  
Active Materials ◽  
Radiative Lifetimes ◽  
P Type

Electron and hole non-radiative lifetimes in phosphorene are investigated by first principles calculations.

An ab initio study of Se-reacted GaAs(0 0 1) surfaces

1998 ◽  
Vol 184-185 (1-2) ◽  
pp. 80-84 ◽  
Author(s):  
W Faschinger
Keyword(s):  
Ab Initio ◽  
Ab Initio Study
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