First Principles Study of Phonon Dispersion Curved for Yttrium Nitride
ACTA PHYSICA POLONICA A, vol.123, no.2, pp.317-319, 2013 (SCI-Expanded, Scopus)
- Publication Type: Article / Article
- Volume: 123 Issue: 2
- Publication Date: 2013
- Doi Number: 10.12693/aphyspola.123.317
- Journal Name: ACTA PHYSICA POLONICA A
- Journal Indexes: Science Citation Index Expanded (SCI-EXPANDED), Scopus
- Page Numbers: pp.317-319
- Dokuz Eylül University Affiliated: Yes
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