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The CNDO-MO study of oxygen impurity states in AlN crystal (1977)

Hejda, B. ; Málek, J. ; Záliš, S.

Springer

Czechoslovak journal of physics 27 (1977), S. 1276-1282

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ISSN: 1572-9486

Source: Springer Online Journal Archives 1860-2000

Topics: Physics

Notes: Abstract Deep levels due to oxygen impurity have been theoretically studied by the quasimolecular approach. The calculation of the orbital spectra was performed using the CNDO/2 method. Some important quantities (transition energies, width of valence band, effective charges etc.) were estimated. The results obtained agree qualitatively well with experimental data but quantitatively are still about 20% in error. Some reasons for the above discrepancy are briefly discussed.

Type of Medium: Electronic Resource

URL: http://dx.doi.org/10.1007/BF01589022

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