III-N(110) surface relaxation and its dependence on the chemical bonding

  • Miotto R
  • Ferraz A
  • Srivastava G
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Using existing and new results obtained from first-principles pseudopotential calculations, we have studied the atomic relaxation and its dependence on the chemical bonding, on III-N(110) surfaces. It is found that the characteristics of III-N(110) surfaces differ from other III-V(110) and II-VI(110) surfaces in two important aspects: a significantly reduced surface bond rotation, and a much lower binding energy of the highest occupied surface state. Furthermore the results obtained for AlN and InN corroborate our previously proposed model of a linear relationship between the vertical buckling of the top layer and the relaxed surface bond length not only for III-N, but also for III-V and II-VI semiconductors in general.

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  • R. Miotto

  • A. C. Ferraz

  • G. P. Srivastava

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