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

71.15.Mb; 63.20.K-

Discipline

• 63.20.K-: Phonon interactions
• 71.15.Mb: Density functional theory, local density approximation, gradient and other corrections

• Journal: Acta Physica Polonica A
• Year: 2013
• Volume: 123
• Issue: 2
• Pages: 317-319

Dates

published

2013-02

Contributors

author

N. Yurdasan

• Dokuz Eylül University, Faculty of Sciences, Physics Department, 35160 Izmir, Turkey

author

S. Gulebaglan

• Dokuz Eylül University, Faculty of Sciences, Physics Department, 35160 Izmir, Turkey

author

G. Akyuz

• Adnan Menderes University, Faculty of Sciences and Arts, Physics Department, 09100 Aydin, Turkey

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Identifiers

DOI

10.12693/APhysPolA.123.317