Characterization of the nitrogen split interstitial defect in wurtzite aluminum nitride using density functional theory

Szállás, Attila and Szász, Krisztián and Trinh, XT and Son, NT and Janzén, E and Gali, Ádám (2014) Characterization of the nitrogen split interstitial defect in wurtzite aluminum nitride using density functional theory. JOURNAL OF APPLIED PHYSICS, 116 (11). ISSN 0021-8979

Preview

Text 1411.7328.pdf Available under License Creative Commons Attribution. Download (730kB) | Preview

Abstract

We carried out Heyd-Scuseria-Ernzerhof hybrid density functional theory plane wave supercell calculations in wurtzite aluminum nitride in order to characterize the geometry, formation energies, transition levels and hyperfine tensors of the nitrogen split interstitial defect. The calculated hyperfine tensors may provide useful fingerprint of this defect for electron paramagnetic resonance measurement.

Actions (login required)

Edit Item