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Seminars & Lectures

* TITLE

[JRG Seminar] Diatomic Molecules in Dilute Nitrides: A First-Principles Study

* SPEAKERS

Name	Affiliation	E-mail
Mr. Pakpoom Reunchan	Suranaree University of Technology, Thailand

* HOST(Applicant)

Name	Affiliation	E-mail
-

* DATE / TIME

2009-06-11, 4pm

* PLACE

Seminar Room 512, APCTP Headquarters, POSTECH, Pohang, Korea

* ABSTRACT

Based on first-principles density functional calculations we investigated behavior of electrically active impurities incorporated in dilute GaAsN alloys. We found that both C and Si are not likely to present as ordinary substitutional defects but form bond to N into diatomic molecules. The formation energy calculations show that the molecule favors substituting for an anion site over being an interstitial under all equilibrium growth conditions. N changes the behavior of C and Si in GaAsN alloys in more dramatic way. The (C-N)As acts as a donor in p-type materials and as an acceptor when Fermi level is raised up to n-type region. The (Si-N)As is found to be a deep-acceptor split interstitial and also explain the GaAs band gap recovery and donor compensation in experimental observation of mutual passivation effect in dilute nitrides.

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