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Density-functional calculations are used to study various plausiblestructures of the wurtzite InN $(0001)$ and $(000{\bar 1})$ surfaces. Thesestructures include the unreconstructed surfaces, surfaces with monolayers of Inor N, several possible coverages and locations of In or N adatoms andvacancies. The stable structure of the $(0001)$ surface under N-rich conditionsis the unreconstructed, In-terminated, surface, while under In-rich conditionsthe stable surface has a 3/4 monolayer of In atoms. The stable structure of theInN $(000{\bar 1})$ surface corresponds to a full monolayer of In atoms in theatop sites (directly above the N atoms) over the entire range of accessible In(or N) chemical potential. The atomic structures of the low-energy structuresare also discussed

physical review. b, condensed matter and materials physics

First-principles study of wurtzite InN (0001) and<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"><mml:mrow><mml:mrow><mml:mo>(</mml:mo><mml:mn>000</mml:mn><mml:mover accent="true"><mml:mn>1</mml:mn><mml:mo stretchy="false">¯</mml:mo></mml:mover><mml:mo>)</mml:mo></mml:mrow></mml:mrow></mml:math>surfaces

First-principles study of wurtzite InN (0001) and(0001¯)surfaces