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Volumn 3, Issue 4, 2006, Pages 171-182

Ab-initio calculations of the energetics and kinetics of defects and impurities in semiconductors

Author keywords

[No Author keywords available]

Indexed keywords

CRYSTAL DEFECTS; CRYSTAL IMPURITIES; DIFFUSION; PROBABILITY DENSITY FUNCTION; RATE CONSTANTS;

EID: 33846961852     PISSN: 19385862     EISSN: 19386737     Source Type: Conference Proceeding    
DOI: 10.1149/1.2355755     Document Type: Conference Paper
Times cited : (12)

References (51)
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    • W. Windl, M. S. Daw, N. N. Carlson, and M. Laudon, in Advances in Materials Theory and Modeling - Bridg-ing over Multiple Lenth and Time Scales, ed. by V. Bulatov et al., MRS Proc. 677 (MRS, Pittsburgh, 2001), p. AA9.4.1-6.
    • W. Windl, M. S. Daw, N. N. Carlson, and M. Laudon, in Advances in Materials Theory and Modeling - Bridg-ing over Multiple Lenth and Time Scales, ed. by V. Bulatov et al., MRS Proc. 677 (MRS, Pittsburgh, 2001), p. AA9.4.1-6.
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    • B. P. Uberuaga, Ph. D. thesis, University of Washington (2000). The PW91 predicted activation energy for diffusion in Si is 4.57 eV for CE, 4.04 eV for I, and 3.83 eV for V. The cohesive energy of Si is 4.57 eV with PW91, compared with an experimental value of 4.62 eV.
    • B. P. Uberuaga, Ph. D. thesis, University of Washington (2000). The PW91 predicted activation energy for diffusion in Si is 4.57 eV for CE, 4.04 eV for I, and 3.83 eV for V. The cohesive energy of Si is 4.57 eV with PW91, compared with an experimental value of 4.62 eV.
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    • We use an exponential function here just for convenience. The cluster size dependence must converge to some limiting value and an exponential is the simplest function with such a shape
    • We use an exponential function here just for convenience. The cluster size dependence must converge to some limiting value and an exponential is the simplest function with such a shape.
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    • We note that previous LDA calculations including only the Γ-point gave even lower defect formation energy than PW91, see A. Janotti et al, Physica B 273-274, 575 1999
    • We note that previous LDA calculations including only the Γ-point gave even lower defect formation energy than PW91, see A. Janotti et al., Physica B 273-274, 575 (1999).


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.