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

被引：29

作者：

Sun, Q ^{[1
]}

Wang, Q

Parlinski, K

Yu, JZ

Hashi, Y

Gong, XG

Kawazoe, Y

机构：

[1] Tohoku Univ, Inst Mat Res, Sendai, Miyagi 9808577, Japan

[2] Inst Nucl Phys, PL-31342 Krakow, Poland

[3] Hitachi Tohoku Software Ltd, Sendai, Miyagi 9800014, Japan

[4] Acad Sinica, Inst Solid State Phys, Hefei 230031, Peoples R China

来源：

PHYSICAL REVIEW B | 2000年 / 61卷 / 08期

关键词：

D O I：

10.1103/PhysRevB.61.5781

中图分类号：

T [工业技术];

学科分类号：

08 ;

摘要：

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 modes, the frequency is positive, and therefore the structure is dynamically stable. 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 relative stability make this cluster to be magic.

引用

页码：5781 / 5785

页数：5

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