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.

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.

Ab initio study of the low-lying electronic states of the C2− anion

2016 ◽  
Vol 1079 ◽  
pp. 57-63 ◽  
Author(s):  
Weixin Shi ◽  
Chuanliang Li ◽  
Huiyan Meng ◽  
Jilin Wei ◽  
Lunhua Deng ◽  
...  
Keyword(s):  
Ab Initio ◽  
Electronic States ◽  
Ab Initio Study

scholarly journals Ab Initio Study of Ground-state CS Photodissociation via Highly Excited Electronic States

2019 ◽  
Vol 882 (2) ◽  
pp. 86 ◽  
Author(s):  
Zhongxing Xu ◽  
Nan Luo ◽  
S. R. Federman ◽  
William M. Jackson ◽  
Cheuk-Yiu Ng ◽  
...  
Keyword(s):  
Ab Initio ◽  
Ground State ◽  
Electronic States ◽  
Ab Initio Study ◽  
Excited Electronic States

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

Transparent ohmic contact for boron doped diamond using p-type NiO film synthesized through oxidation

2020 ◽  
Vol 105 ◽  
pp. 104740 ◽  
Author(s):  
Tong Zhang ◽  
Xiaobo Li ◽  
Taofei Pu ◽  
Qiliang Wang ◽  
Shaoheng Cheng ◽  
...  
Keyword(s):  
Ohmic Contact ◽  
Boron Doped Diamond ◽  
Boron Doped ◽  
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 Ab initio study of topological surface states of strained HgTe

2014 ◽  
Vol 107 (5) ◽  
pp. 57006 ◽  
Author(s):  
Shu-Chun Wu ◽  
Binghai Yan ◽  
Claudia Felser
Keyword(s):  
Ab Initio ◽  
Surface States ◽  
Ab Initio Study ◽  
Topological Surface
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