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Probe Type II Band Alignment in One-Dimensional Van Der Waals Heterostructures Using First-Principles Calculations
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Probe Type II Band Alignment in One-Dimensional Van Der Waals Heterostructures Using First-Principles Calculations

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Surface energies of AlN allotropes from first principles

David Holec1, Paul H Mayrhofer

  • 1Montanuniversität Leoben, Franz-Josef-Straße 18, Leoben A-8700, Austria.

Scripta Materialia
|March 9, 2013
PubMed

Keywords:
Aluminium nitrideBroken-bond modelDensity functional theorySurface energyAlN surface energiesFirst principles calculationsSurface thermodynamicsCrystal structure stability

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