Ab initio calculation of the stoichiometry and structure of the (0001) surfaces of GaN and AlN

Engineering & Materials Science

• Stoichiometry 100%
• Positive ions 74%
• Negative ions 60%
• Adsorption 43%
• Vacancies 40%
• Local density approximation 31%
• Atoms 30%
• Orbital calculations 28%
• Dangling bonds 27%
• Electronic structure 22%
• Metals 19%
• Energy gap 16%
• Hydrogen 11%
• Chemical analysis 9%
• Geometry 9%

Physics & Astronomy

• stoichiometry 71%
• cations 62%
• anions 52%
• adsorption 42%
• configurations 19%
• metals 19%
• atoms 18%
• atomic structure 18%
• pseudopotentials 18%
• wurtzite 18%
• periodic variations 17%
• flat surfaces 16%
• electronic structure 13%
• orbitals 13%
• hydrogen 11%
• geometry 10%
• approximation 9%
• energy 5%

Chemical Compounds

• Ab Initio Calculation 64%
• Reaction Stoichiometry 60%
• Surface 23%
• Local-Density Approximation 21%
• Dangling Bond 19%
• Pseudopotential 18%
• Adsorption 14%
• Metal Atom 14%
• Band Gap 11%
• Electronic State 10%
• Hydrogen 7%
• Energy 7%