Vibrational dynamics of Fe-based glassy alloys.

Autor: Vora, Aditya
Zdroj: Frontiers of Chemistry in China; Jun2011, Vol. 6 Issue 2, p127-141, 15p
Abstrakt: The well recognized model potential is used to investigate the vibrational properties of four Fe-based binary glassy alloys viz. FeZr, FeB, FeB and FeP. The thermodynamic and elastic properties are also computed from the elastic limits of the phonon dispersion curves (PDC). Three theoretical approaches given by Hubbard-Beeby (HB), Takeno-Goda (TG) and Bhatia-Singh (BS) are used in the present study to compute the PDC. Six local field correction functions proposed by Hartree (H), Taylor (T), Ichimaru-Utsumi (IU), Farid et al. (F) and Sarkar et al. (S) and Sarkar et al.'s local field factor (SLFF) based excgange and correlation function are employed to see the effect of exchange and correlation in the aforesaid properties. [ABSTRACT FROM AUTHOR]
Databáze: Complementary Index