Interface defects and impurities at the growth zone of Au-catalyzed GaAs nanowire from first principles

2013 ◽  
Vol 7 (10) ◽  
pp. 882-885 ◽  
Author(s):  
Sung Sakong ◽  
Yaojun A. Du ◽  
Peter Kratzer
Keyword(s):  
First Principles ◽  
Growth Zone ◽  
Interface Defects ◽  
Gaas Nanowire ◽  
Defects And Impurities

Bonding, Defects, And Defect Dynamics In The Sic-SiO2 System

2000 ◽  
Vol 640 ◽  
Author(s):  
S. T. Pantelides ◽  
R. Buczko ◽  
M. Di Ventra ◽  
S. Wang ◽  
S.-G. Kim ◽  
...  
Keyword(s):  
First Principles ◽  
Oxidation Process ◽  
Atomic Scale ◽  
Contrast Imaging ◽  
Interface Defects ◽  
Device Applications ◽  
Z Contrast ◽  
And Control ◽  
Electron Energy Loss ◽  
Ultimate Purpose

ABSTRACTThis paper presents a review of new results obtained by a combination of first-principles theory, Z-contrast imaging, and electron-energy-loss spectroscopy in the context of a broader experimental/theoretical program to understand and control the atomic-scale structure of SiCSiO2 interfaces. The ultimate purpose is to achieve low interface trap densities for device applications. Results are given for global bonding arrangements in comparison with those of the Si-SiO2 interface, the mechanism of the oxidation process, the nature of possible interface defects and their passivation by N and H, and the formation and dissolution of C clusters in SiO2 during oxidation and reoxidation.

First-principles study of defects and carrier compensation in semiconductor radiation detector materials

2009 ◽  
Vol 1164 ◽  
Author(s):  
Mao-Hua Du ◽  
Hiroyuki Takenaka ◽  
David Joseph Singh
Keyword(s):  
Hydrogen Atom ◽  
Fermi Level ◽  
First Principles ◽  
Radiation Detector ◽  
Defect Engineering ◽  
Fermi Level Pinning ◽  
Excellent Candidate ◽  
Anion Site ◽  
Defects And Impurities ◽  
Detector Materials

AbstractWe discuss defect engineering strategies in radiation detector materials. The goal is to increase resistivity by defect-induced Fermi level pinning without causing defect-induced reductions in the carrier drifting length. We show calculated properties of various intrinsic defects and impurities in CdTe. We suggest that the defect complex of a hydrogen atom and an isovalent impurity on an anion site may be an excellent candidate in many semiconductors for Fermi level pinning without carrier trapping.

scholarly journals Insight into point defects and impurities in titanium from first principles

2018 ◽  
Vol 4 (1) ◽  
Author(s):  
Sanjeev K. Nayak ◽  
Cain J. Hung ◽  
Vinit Sharma ◽  
S. Pamir Alpay ◽  
Avinash M. Dongare ◽  
...  
Keyword(s):  
Point Defects ◽  
First Principles ◽  
Defects And Impurities ◽  
Insight Into

First principles studies of point defects and impurities in cubic boron nitride

1998 ◽  
Vol 51 (1-3) ◽  
pp. 53-57 ◽  
Author(s):  
J.L.P Castineira ◽  
J.R Leite ◽  
L.M.R Scolfaro ◽  
R Enderlein ◽  
J.L.A Alves ◽  
...  
Keyword(s):  
Boron Nitride ◽  
Point Defects ◽  
First Principles ◽  
Cubic Boron Nitride ◽  
Defects And Impurities
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