An insight to the role of Cr in the process of intrinsic point defects in α-Al2O3

2016 ◽  
Vol 18 (9) ◽  
pp. 6734-6741 ◽  
Author(s):  
Xin Xiang ◽  
Guikai Zhang ◽  
Feilong Yang ◽  
Xuexing Peng ◽  
Tao Tang ◽  
...  
Keyword(s):  
Charge State ◽  
Point Defects ◽  
Significant Influence ◽  
Relative Stability ◽  
Equilibrium Configuration ◽  
Intrinsic Point Defects ◽  
Defect Process ◽  
Α Al2o3

Cr has significant influence on the formation, charge state, relative stability and equilibrium configuration of isolated intrinsic point defects in α-Al2O3, resulting in the variation of defect process in α-Al2O3.

Role of induced quadrupoles in the simulation of intrinsic point defects in AgCl and NaCl

1993 ◽  
Vol 48 (10) ◽  
pp. 6839-6853 ◽  
Author(s):  
Radha D. Banhatti ◽  
Y. V. G. S. Murti
Keyword(s):  
Point Defects ◽  
Intrinsic Point Defects

scholarly journals First-Principles Assessment of the Structure and Stability of 15 Intrinsic Point Defects in Zinc-Blende Indium Arsenide

Crystals ◽  
2019 ◽  
Vol 9 (1) ◽  
pp. 48 ◽  
Author(s):  
Qing Peng ◽  
Nanjun Chen ◽  
Danhong Huang ◽  
Eric Heller ◽  
David Cardimona ◽  
...  
Keyword(s):  
Fermi Level ◽  
Charge State ◽  
Indium Arsenide ◽  
Point Defects ◽  
First Principles ◽  
Formation Energy ◽  
Fast Diffusion ◽  
Intrinsic Point Defects ◽  
Zinc Blende ◽  
Tetrahedral Sites

Point defects are inevitable, at least due to thermodynamics, and essential for engineering semiconductors. Herein, we investigate the formation and electronic structures of fifteen different kinds of intrinsic point defects of zinc blende indium arsenide (zb-InAs ) using first-principles calculations. For As-rich environment, substitutional point defects are the primary intrinsic point defects in zb-InAs until the n-type doping region with Fermi level above 0.32 eV is reached, where the dominant intrinsic point defects are changed to In vacancies. For In-rich environment, In tetrahedral interstitial has the lowest formation energy till n-type doped region with Fermi level 0.24 eV where substitutional point defects In A s take over. The dumbbell interstitials prefer < 110 > configurations. For tetrahedral interstitials, In atoms prefer 4-As tetrahedral site for both As-rich and In-rich environments until the Fermi level goes above 0.26 eV in n-type doped region, where In atoms acquire the same formation energy at both tetrahedral sites and the same charge state. This implies a fast diffusion along the t − T − t path among the tetrahedral sites for In atoms. The In vacancies V I n decrease quickly and monotonically with increasing Fermi level and has a q = − 3 e charge state at the same time. The most popular vacancy-type defect is V I n in an As-rich environment, but switches to V A s in an In-rich environment at light p-doped region when Fermi level below 0.2 eV. This study sheds light on the relative stabilities of these intrinsic point defects, their concentrations and possible diffusions, which is expected useful in defect-engineering zb-InAs based semiconductors, as well as the material design for radiation-tolerant electronics.

Self Diffusion in SiC: the Role of Intrinsic Point Defects

2001 ◽  
Vol 353-356 ◽  
pp. 323-326 ◽  
Author(s):  
Alexander Mattausch ◽  
M. Bockstedte ◽  
Oleg Pankratov
Keyword(s):  
Point Defects ◽  
Intrinsic Point Defects ◽  
Self Diffusion

Defect Engineering in SI:ER Technology

1996 ◽  
Vol 422 ◽  
Author(s):  
N. A. Sobolev ◽  
O. V. Alexandrov ◽  
M. S. Bresler ◽  
V. V. Emtsev ◽  
O. B. Gusev ◽  
...  
Keyword(s):  
Point Defects ◽  
Essential Role ◽  
Defect Formation ◽  
Defect Engineering ◽  
Intrinsic Point Defects ◽  
Related Donor ◽  
Non Equilibrium

AbstractRecent results contributing to our understanding of mechanisms of defect formation and excitation of Er luminescence in Si:Er system are presented. An essential role of non-equilibrium intrinsic point defects in Er-related defects formation for both implanted and in-diffused Si:Er structures is demonstrated.The data of electroluminescence (EL) measurements evidence that the Er3+ excitation occurs via capture of free excitons on neutral Er-related donor centers with subsequent Augerrecombination of bound excitons.

On the role of defect charge state in the stability of point defects in silicon

1975 ◽  
Vol 16 (1) ◽  
pp. 171-174 ◽  
Author(s):  
L.C. Kimerling ◽  
H.M. DeAngelis ◽  
J.W. Diebold
Keyword(s):  
Charge State ◽  
Point Defects ◽  
The Stability

A new perspective on the process of intrinsic point defects in α-Al2O3

2015 ◽  
Vol 17 (43) ◽  
pp. 29134-29141 ◽  
Author(s):  
Xin Xiang ◽  
Guikai Zhang ◽  
Xiaolin Wang ◽  
Tao Tang ◽  
Yan Shi
Keyword(s):  
Plane Wave ◽  
Point Defects ◽  
First Principles ◽  
Intrinsic Point Defects ◽  
Pseudopotential Calculations ◽  
Charge States ◽  
New Perspective ◽  
Α Al2o3

First-principles plane-wave pseudopotential calculations have been performed to study the charge states and energetics of intrinsic point defects as vacancies, interstitials and antisite atoms in α-Al2O3, and thus a new perspective on the process of intrinsic point defects has been proposed.

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