First-principles studies on the intrinsic stability of the magic Fe13O8 cluster

Citation
Q. Sun et al., First-principles studies on the intrinsic stability of the magic Fe13O8 cluster, PHYS REV B, 61(8), 2000, pp. 5781-5785
Citations number
35
Categorie Soggetti
Apllied Physucs/Condensed Matter/Materiales Science
Journal title
PHYSICAL REVIEW B
ISSN journal
10980121 → ACNP
Volume
61
Issue
8
Year of publication
2000
Pages
5781 - 5785
Database
ISI
SICI code
1098-0121(20000215)61:8<5781:FSOTIS>2.0.ZU;2-G
Abstract
Complementary to our previous study [Wang et nl., Phys. Rev. B 59, 12 672 ( 1999)], the intrinsic stability of the magic Fe13O8 cluster is confirmed by the calculations on the vibrational properties, For all the vibration mode s, the frequency is positive, and therefore the structure is dynamically st able. A(1g), B-1g, and B-2g modes are Raman active, A(2g), A(2u), and E-u, modes are infrared active, while the E-g, mode is active both in Raman and in infrared spectroscopy. The intrinsic stability combined:with the relativ e stability make this cluster to be magic.