First Principles Study of Phonon Dispersion Curved for Yttrium Nitride
ACTA PHYSICA POLONICA A, cilt.123, sa.2, ss.317-319, 2013 (SCI-Expanded, Scopus)
- Yayın Türü: Makale / Tam Makale
- Cilt numarası: 123 Sayı: 2
- Basım Tarihi: 2013
- Doi Numarası: 10.12693/aphyspola.123.317
- Dergi Adı: ACTA PHYSICA POLONICA A
- Derginin Tarandığı İndeksler: Science Citation Index Expanded (SCI-EXPANDED), Scopus
- Sayfa Sayıları: ss.317-319
- Dokuz Eylül Üniversitesi Adresli: Evet
Özet
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