Charge states of point defects in uranium oxide calculated with a local hybrid functional for correlated electrons

2011 ◽  
Vol 83 (18) ◽  
Author(s):  
Jean-Paul Crocombette ◽  
Doru Torumba ◽  
Alain Chartier
Keyword(s):  
Point Defects ◽  
Uranium Oxide ◽  
Correlated Electrons ◽  
Hybrid Functional ◽  
Charge States

Concentration of point defects in wurtzite AlN: A hybrid functional study

2012 ◽  
Vol 98 (3) ◽  
pp. 36003 ◽  
Author(s):  
Leonardo Silvestri ◽  
Kerry Dunn ◽  
Steven Prawer ◽  
François Ladouceur
Keyword(s):  
Point Defects ◽  
Functional Study ◽  
Hybrid Functional

Native point defects inLaAlO3: A hybrid functional study

2013 ◽  
Vol 88 (21) ◽  
Author(s):  
Minseok Choi ◽  
Anderson Janotti ◽  
Chris G. Van de Walle
Keyword(s):  
Point Defects ◽  
Functional Study ◽  
Hybrid Functional ◽  
Native Point Defects

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.

A hybrid functional study of native point defects in Cu2SnS3: implications for reducing carrier recombination

2018 ◽  
Vol 20 (1) ◽  
pp. 256-261 ◽  
Author(s):  
Pin-Wen Guan ◽  
Zi-Kui Liu
Keyword(s):  
Point Defects ◽  
Defect Chemistry ◽  
Functional Study ◽  
Hybrid Functional ◽  
Experimental Conditions ◽  
Native Point Defects ◽  
Carrier Recombination ◽  
The Earth ◽  
Earth Abundant ◽  
Solar Material

Study of defect chemistry in the earth-abundant solar material Cu2SnS3 reveals abundant deep centers causing recombination under typical experimental conditions.

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