Phys. Rev. B 65, 245304 (2002) [8 pages]Influence of dislocations on electron energy-loss spectra in gallium nitrideReceived 17 December 2001; published 29 May 2002 We report on first-principles calculations of electron energy-loss (EEL) spectra for bulk group-III nitrides and of spatially resolved EEL spectra for a variety of edge and screw dislocations in GaN. The theoretical bulk low-loss EEL spectra, in the 0–10 eV range, are in good agreement with recent experimental data. We find gap states associated with undecorated full-core dislocations that lead to absorption below the bulk onset energy in low-loss EEL spectroscopy. It is also found that the electrostatic potential at N atoms in the vicinity of an edge dislocation varies by an order of a volt and casts doubt on any simple interpretation of core-loss spectroscopy. © 2002 The American Physical Society URL:
http://link.aps.org/doi/10.1103/PhysRevB.65.245304
DOI:
10.1103/PhysRevB.65.245304
PACS:
71.55.-i, 78.20.Bh, 78.20.Ci
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