First Principles Study of Phonon Dispersion Curved for Yttrium Nitride


Yurdasan N. B. , Gulebaglan S. , Akyuz G. B.

ACTA PHYSICA POLONICA A, vol.123, no.2, pp.317-319, 2013 (Journal Indexed in SCI) identifier identifier

  • Publication Type: Article / Article
  • Volume: 123 Issue: 2
  • Publication Date: 2013
  • Doi Number: 10.12693/aphyspola.123.317
  • Title of Journal : ACTA PHYSICA POLONICA A
  • Page Numbers: pp.317-319

Abstract

We present first-principles calculations of the structural and lattice-dynamical properties for cubic yttrium nitride. The ground state properties, such as the lattice constant and the bulk modulus, are calculated using a plane wave pseudopotential method within density functional theory. A linear-response approach to density functional theory is used to derive the phonon frequencies. In this work, we present plane-wave pseudopotential calculations within density functional theory and calculate the phonon frequencies for high symmetry points. DOI: 10.12693/APhysPolA.123.317