A new scheme for calculating the electronic structure of crystals, based on the CNDO (complete neglect of differential overlap) approximation, is used to calculate the potential energy surfaces of diamond. Elastic properties such as the stiffness constants, the angular dependences of the anisotropy factor of Young's modulus, the Poisson ratios, and the Debye temperature are investigated on the basis of the calculated energy surfaces and are compared with experiment.

Original languageEnglish
Pages (from-to)265-271
Number of pages7
JournalPhysics of the Solid State
Volume38
Issue number2
StatePublished - Feb 1996

    Scopus subject areas

  • Electronic, Optical and Magnetic Materials
  • Condensed Matter Physics

ID: 84357964