dorsal/arxiv
View SchemaNovel Reconstruction mechanisms: A comparison between group-III-nitrides and "traditional" III-V-semiconductors
| Authors | T. K. Zywietz, J. Neugebauer, M. Scheffler, J. E. Northrup |
|---|---|
| Categories | |
| ArXiv ID | physics/9810003 |
| URL | https://arxiv.org/abs/physics/9810003 |
Abstract
We have studied the driving forces governing reconstructions on polar GaN surfaces employing first-principles total-energy calculations. Our results reveal properties not observed for other semiconductors, as for example a strong tendency to stabilize Ga-rich surfaces. This mechanism is shown to have important consequences on various surface properties: Novel and hitherto unexpected structures are stable, surfaces may become metallic although GaN is a wide-bandgap semiconductor, and the surface energy is significantly higher than for other semiconductors. We explain these features in terms of the small lattice constant of GaN and the unique bond strength of nitrogen molecules.
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"date_created": "2026-03-02T18:01:21.354000Z",
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"abstract": "We have studied the driving forces governing reconstructions on polar GaN\nsurfaces employing first-principles total-energy calculations. Our results\nreveal properties not observed for other semiconductors, as for example a\nstrong tendency to stabilize Ga-rich surfaces. This mechanism is shown to have\nimportant consequences on various surface properties: Novel and hitherto\nunexpected structures are stable, surfaces may become metallic although GaN is\na wide-bandgap semiconductor, and the surface energy is significantly higher\nthan for other semiconductors. We explain these features in terms of the small\nlattice constant of GaN and the unique bond strength of nitrogen molecules.",
"arxiv_id": "physics/9810003",
"authors": [
"T. K. Zywietz",
"J. Neugebauer",
"M. Scheffler",
"J. E. Northrup"
],
"categories": [
"physics.comp-ph"
],
"title": "Novel Reconstruction mechanisms: A comparison between group-III-nitrides and \"traditional\" III-V-semiconductors",
"url": "https://arxiv.org/abs/physics/9810003"
},
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