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오영기,신익동,조화석 嶺南大學校 基礎科學硏究所 1995 基礎科學硏究 Vol.15 No.-
We have studied the electronic structure and formation energies of defect in GaN using ab-initio Hartree-Fock theory. Our results reveal the vacancy to be dominant defects in GaN are energetically less favorable. These show that the isolated point defects and particularly the nitrogen vacancy can be excluded as the source for the n-type conductivity in as-grown GaN, contrary to the generally accepted picture.
박진호,이재익,신익동,김민기,신재범,이현주,조화석 嶺南大學校 基礎科學硏究所 1998 基礎科學硏究 Vol.18 No.-
We have studied the nuclear quadrupole interaction of flurine(F) atom implanted in gallium nitride(GaN) cluster models and the defect formation energies in Gan cluster using Hartree-Fock(HF) theory. As results, the total energy values were -8020.3328Hartree at the intrabond site and -8020.3769Hartree at the antibonding site bonded to Ga respectively. These results show that F reside at the Ga antibonding site rather than at the intrabond site in GaN crystal.