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Angewandte Chemie - International Edition

Volumn 50, Issue 43, 2011, Pages 10221-10225

Activation energies for diffusion of defects in silicon: The role of the exchange-correlation functional

(4) Estreicher, Stefan K a Backlund, Daniel J b Carbogno, Christian c Scheffler, Matthias c

a TEXAS TECH UNIVERSITY (United States)

b TEXAS TECH UNIVERSITY HEALTH SCIENCES CENTER (United States)

c FRITZ HABER INSTITUT DER MAX PLANCK GESELLSCHAFT (Germany)

Author keywords

defect diffusion; density functional calculations; exchange correlation functional; semiconductors; silicon

Indexed keywords

DEFECT DIFFUSION; DENSITY-FUNCTIONAL CALCULATIONS; DFT CALCULATION; EXCHANGE-CORRELATION FUNCTIONALS; EXPERIMENTAL DATA; INTERSTITIALS; MIGRATION PATH; NUDGED ELASTIC BAND METHODS;

DEFECTS; DIFFUSION; SEMICONDUCTING SILICON COMPOUNDS; SPHERES;

ACTIVATION ENERGY;

ORGANOMETALLIC COMPOUND; SILICON;

ARTICLE; CHEMISTRY; CIRCULAR DICHROISM; DIFFUSION;

CIRCULAR DICHROISM; DIFFUSION; ORGANOMETALLIC COMPOUNDS; SILICON;

EID: 80054044763 PISSN: 14337851 EISSN: 15213773 Source Type: Journal
DOI: 10.1002/anie.201100733 Document Type: Article

Times cited : (33)

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