First Principles Study of Phonon Dispersion Curved for Yttrium Nitride |
| N.B. Yurdasan a, S.E. Gulebaglan a and G.B. Akyuz b
aDokuz Eylül University, Faculty of Sciences, Physics Department, 35160 Izmir, Turkey bAdnan Menderes University, Faculty of Sciences and Arts, Physics Department, 09100 Aydin, Turkey |
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| 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 PACS numbers: 71.15.Mb, 63.20.K- |