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Electronic structure of zinc-blende GaN001 surface

  • 2013-09-22
  • 266.26KB
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The electronic structure of the clean surface of zinc-blende GaN (001) (1×1) is calculated using the first-principles pseudopotential method with mixed basis representation. The obtained properties such as the atomic partial state density, surface charge density distribution and surface band structure are analyzed, and the Ga-terminal surface and N-terminal surface of GaN (001) are compared. The results show that the Ga-terminal surface of zinc-blende GaN (001) is more stable than the N-terminal surface, and both (1×1) surfaces have metallic properties. In addition, the properties of the atoms in the subsurface layer are discussed.

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