First Principles Study of Phonon Dispersion Curved for Yttrium Nitride

• Authors: N. Yurdasan , S. Gulebaglan , G. Akyuz
• Languages of publication: EN

Abstracts

EN

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.

Keywords

EN

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• Publisher: Institute of Physics, Polish Academy of Sciences
• Journal: Acta Physica Polonica A
• Year: 2013
• Volume: 123
• Issue: 2
• Pages: 317-319

Dates

published

2013-02

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Identifiers

DOI

10.12693/APhysPolA.123.317