Phonon dispersions and elastic constants of disordered Pd-Ni alloys

Date

2005-01-31

Author

Kart, SO
Tomak, Mehmet
Cagin, T

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Phonon frequencies of Pd-Ni alloys are calculated by molecular dynamics (MD) simulation. Lattice dynamical properties computed from Sutton-Chen (SC) and quantum Sutton-Chen (Q-SC) potentials as a function of temperature are compared with each other. We present all interatomic force constants up to the 8th nearest-neighbor shell obtained by using the calculated potential. Elastic constants evaluated by two methods are consistent with each other. The transferability of the potential is also tested. The results are in good agreement with experimental data and other calculations.

Subject Keywords

Electrical and Electronic Engineering, Electronic, Optical and Magnetic Materials, Condensed Matter Physics

URI

https://hdl.handle.net/11511/47416

Journal

PHYSICA B-CONDENSED MATTER

DOI

https://doi.org/10.1016/j.physb.2004.11.066

Collections

Department of Physics, Article