Stability of wurtzite semipolar surfaces: Algorithms and practices

  title={Stability of wurtzite semipolar surfaces: Algorithms and practices},
  author={Yiou Zhang and J. Zhang and Junyi Zhu},
  journal={Physical Review Materials},
A complete knowledge of absolute surface energies with any arbitrary crystal orientation is important for the improvements of semiconductor devices because it determines the equilibrium and nonequilibrium crystal shapes of thin films and nanostructures. It is also crucial in the control of thin film crystal growth and surface effect studies in broad research fields. However, obtaining accurate absolute formation energies is still a huge challenge for the semi-polar surfaces of compound… Expand
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