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.

Язык оригиналаанглийский
Страницы (с-по)265-271
Число страниц7
ЖурналPhysics of the Solid State
Том38
Номер выпуска2
СостояниеОпубликовано - фев 1996

    Предметные области Scopus

  • Электроника, оптика и магнитные материалы
  • Физика конденсатов

ID: 84357964