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篇目详细内容 |
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【篇名】 |
Vibrational dynamics of Fe-based glassy alloys |
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【刊名】 |
Frontiers of Chemistry in China |
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【刊名缩写】 |
Front. Chem. China |
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【ISSN】 |
1673-3495 |
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【EISSN】 |
1673-3614 |
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【DOI】 |
10.1007/s11458-011-0236-7 |
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【出版社】 |
Higher Education Press and Springer-Verlag Berlin
Heidelberg |
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【出版年】 |
2011 |
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【卷期】 |
6
卷2期 |
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【页码】 |
127-141
页,共
15
页 |
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【作者】 |
Aditya M. VORA;
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【关键词】 |
pseudopotential; pair potential; phonon dispersion curves (PDC); Fe-based binary glassy alloys; static properties; vibrational properties |
【摘要】 |
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The well recognized model potential is used to investigate the vibrational properties of four Fe-based binary glassy alloys viz. Fe90Zr10, Fe80B20, Fe83B17 and Fe80P20. 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. |
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