Phys. Rev. B 62, 3223–3231 (2000)Vibrational properties of the one-component σ phaseReceived 16 February 2000; published in the issue dated 1 August 2000 A structural model of a one-component σ-phase crystal has been constructed by means of molecular dynamics simulation. The phonon dispersion curves and the vibrational density of states were computed for this model. The dependence of the vibrational properties on the thermodynamical parameters was investigated. The vibrational density of states of the σ-phase structure is found to be similar to that of a one-component glass with icosahedral local order. On the basis of this comparison it is concluded that the σ phase can be considered to be a good crystalline reference structure for this glass. © 2000 The American Physical Society URL:
http://link.aps.org/doi/10.1103/PhysRevB.62.3223
DOI:
10.1103/PhysRevB.62.3223
PACS:
63.20.Dj, 61.43.Fs
|
|
About | Terms and Conditions | Subscriptions | Search | Help
Use of the American Physical Society websites and journals implies that the user has read and agrees to our Terms and Conditions and any applicable Subscription Agreement. Physical Review®, Physical Review Letters®, Reviews of Modern Physics®, and Physical Review Special Topics® are trademarks of the American Physical Society.