Influence of charge states on energies of point defects and clusters in uranium dioxide

2012 ◽  
Vol 85 (14) ◽  
Author(s):  
Jean-Paul Crocombette
Keyword(s):  
Point Defects ◽  
Uranium Dioxide ◽  
Charge States

Energetics of intrinsic point defects in uranium dioxide from electronic-structure calculations

2009 ◽  
Vol 384 (1) ◽  
pp. 61-69 ◽  
Author(s):  
Pankaj Nerikar ◽  
Taku Watanabe ◽  
James S. Tulenko ◽  
Simon R. Phillpot ◽  
Susan B. Sinnott
Keyword(s):  
Electronic Structure ◽  
Point Defects ◽  
Uranium Dioxide ◽  
Electronic Structure Calculations ◽  
Intrinsic Point Defects ◽  
Structure Calculations

Transformation of electron density distribution induced by the cation point defects in uranium dioxide

2020 ◽  
Vol 325 (1) ◽  
pp. 253-262
Author(s):  
Mikhail V. Ryzhkov ◽  
Maxim A. Kovalenko ◽  
Anatolii Ya Kupryazhkin ◽  
Sanjeev K. Gupta
Keyword(s):  
Density Distribution ◽  
Electron Density ◽  
Point Defects ◽  
Uranium Dioxide ◽  
Electron Density Distribution

scholarly journals First-Principles Calculation of Point Defects in Uranium Dioxide

2006 ◽  
Vol 47 (11) ◽  
pp. 2651-2657 ◽  
Author(s):  
Misako Iwasawa ◽  
Ying Chen ◽  
Yasunori Kaneta ◽  
Toshiharu Ohnuma ◽  
Hua-Yun Geng ◽  
...  
Keyword(s):  
Point Defects ◽  
Uranium Dioxide ◽  
First Principles ◽  
First Principles Calculation

Extended 'Five-Stream' Model for Diffusion of Implanted Dopants in Silicon during Ultra-Shallow Junction Formation in VLSI Circuits

2008 ◽  
Vol 277 ◽  
pp. 107-112 ◽  
Author(s):  
Boris B. Khina
Keyword(s):  
Point Defects ◽  
Crystalline Silicon ◽  
Reaction Diffusion ◽  
Vlsi Circuits ◽  
Reaction Diffusion Equations ◽  
Dopant Atom ◽  
Internal Electric Field ◽  
Donor And Acceptor ◽  
Charge States ◽  
Stream Model

Ion implantation of different dopants (donors and acceptors) into crystalline silicon with subsequent thermal annealing is used for the formation of ultra-shallow p-n junctions in VLSI technology. The experimentally observed phenomenon of transient enhanced diffusion (TED) during annealing hinders further downscaling of advanced VLSI circuits. However, modern mathematical models of dopant diffusion, which are based on the so-called “five-stream” approach, and software packages such as SUPREM4 encounter difficulties in describing TED. In this work, an extended five-stream model for diffusion in silicon is developed, which takes into account all the possible charge states of point defects (vacancies and silicon self-interstitials) and diffusing pairs “dopant atom–vacancy” and “dopant atom–silicon self-interstitial”. The model includes diffusion and drift of differently charged point defects and pairs in the internal electric field and the kinetics of interaction between unlike species. The expressions for diffusion fluxes and sink/source terms that appear in the non-linear, non-steady-state reaction-diffusion equations are derived for both donor and acceptor dopants accounting for multiple charge states of the diffusing species.

First Principles Study of Point Defects in Uranium Dioxide

2007 ◽  
pp. 1971-1974 ◽  
Author(s):  
Ying Chen ◽  
Misako Iwasawa ◽  
Yasunori Kaneta ◽  
Toshiharu Ohnuma ◽  
Hua Yun Geng ◽  
...  
Keyword(s):  
Point Defects ◽  
Uranium Dioxide ◽  
First Principles ◽  
First Principles Study
Sign in / Sign up

Export Citation Format

Share Document