@article{WOS:000576888100001,
 abstract = {We determine atomic structure, electronic structure, formation energies,
magnetic properties of native point defects, such as gallium (Ga) and
nitrogen (N) vacancies, in bulk and at the nonpolar (10 (1) over bar0)
surface of wurtzite gallium nitride (w-GaN) using first-principles
density functional theory (DFT) based calculations. In bulk and at the
(10 (1) over bar0) surface of GaN, N vacancies are significantly more
stable than Ga vacancies under both Ga-rich and N-rich conditions. We
show that within DFT-local density approximated N vacancies form
spontaneously at the (10 (1) over bar0) surface of GaN when doped to
raise the Fermi level up to approximate to 1.0 eV above valence band
maximum (VBM) while with valence band edge correction it is 1.79 eV
above VBM. We provide experimental evidence for occurrence of N
vacancies with electron energy loss spectroscopy measurements, which
further hints the N vacancies at surface to the source of auto-doping
which may explain high electrical conductivity of GaN nanowall network
grown with molecular beam epitaxy. Published under license by AVS.},
 article-number = {063205},
 author = {Nayak, Sanjay and Naik, Mit H. and Jain, Manish and Waghmare, V, Umesh
and Shivaprasad, Sonnada M.},
 doi = {10.1116/6.0000402},
 eissn = {1520-8559},
 issn = {0734-2101},
 journal = {JOURNAL OF VACUUM SCIENCE & TECHNOLOGY A},
 month = {DEC},
 number = {6},
 orcid-numbers = {Jain, Manish/0000-0001-9329-6434},
 researcherid-numbers = {Jain, Manish/A-8303-2010},
 title = {First-principles theoretical analysis and electron energy loss
spectroscopy of vacancy defects in bulk and nonpolar (10(1)over-bar0)
surface of GaN},
 unique-id = {WOS:000576888100001},
 volume = {38},
 year = {2020}
}