Interplay between structure and magnetism in Mo12S9I9 nanowires

被引：35

作者：

Yang, T ^{[1
]}

Okano, S

Berber, S

Tománek, D

机构：

[1] Michigan State Univ, Dept Phys & Astron, E Lansing, MI 48824 USA

[2] Univ Tsukuba, Inst Phys, Tsukuba, Ibaraki 3058571, Japan

来源：

PHYSICAL REVIEW LETTERS | 2006年 / 96卷 / 12期

基金：

美国国家科学基金会;

关键词：

D O I：

10.1103/PhysRevLett.96.125502

中图分类号：

O4 [物理学];

学科分类号：

0702 ;

摘要：

We investigate the equilibrium geometry and electronic structure of Mo12S9I9 nanowires using ab initio density functional calculations. The skeleton of these unusually stable nanowires consists of rigid, functionalized Mo octahedra, connected by flexible, bistable sulfur bridges. This structural flexibility translates into a capability to stretch up to approximate to 20% at almost no energy cost. The nanowires change from conductors to narrow-gap magnetic semiconductors in one of their structural isomers.

引用

页数：4

共 20 条

[1] HIGH-RATE, GAS-PHASE GROWTH OF MOS2 NESTED INORGANIC FULLERENES AND NANOTUBES [J].

FELDMAN, Y ;

WASSERMAN, E ;

SROLOVITZ, DJ ;

TENNE, R .

SCIENCE, 1995, 267 (5195) :222-225

[2] Structural and mechanical properties of MoS2-Ix nanotubes and Mo6SxIy nanowires [J].

Hassanien, A ;

Tokumoto, M ;

Mrzel, A ;

Mihailovic, D ;

Kataura, H .

PHYSICA E-LOW-DIMENSIONAL SYSTEMS & NANOSTRUCTURES, 2005, 29 (3-4) :684-688

[3] HELICAL MICROTUBULES OF GRAPHITIC CARBON [J].

IIJIMA, S .

NATURE, 1991, 354 (6348) :56-58

[4] Tribological properties of Mo-S-I nanowires as additive in oil [J].

Joly-Pottuz, L ;

Dassenoy, F ;

Martin, JM ;

Vrbanic, D ;

Mrzel, A ;

Mihailovic, D ;

Vogel, W ;

Montagnac, G .

TRIBOLOGY LETTERS, 2005, 18 (03) :385-393

[5] EFFICACIOUS FORM FOR MODEL PSEUDOPOTENTIALS [J].

KLEINMAN, L ;

BYLANDER, DM .

PHYSICAL REVIEW LETTERS, 1982, 48 (20) :1425-1428

[6] Atomic and electronic structure of Mo6S9-xIx nanowires [J].

Meden, A ;

Kodre, A ;

Gomilsek, JP ;

Arcon, I ;

Vilfan, I ;

Vrbanic, D ;

Mrzel, A ;

Mihailovic, D .

NANOTECHNOLOGY, 2005, 16 (09) :1578-1583

[7] Solubility of Mo6S4.5I4.5 nanowires in common solvents:: A sedimentation study [J].

Nicolosi, V ;

Vrbanic, D ;

Mrzel, A ;

McCauley, J ;

O'Flaherty, S ;

McGuinness, C ;

Compagnini, G ;

Mihailovic, D ;

Blau, WJ ;

Coleman, JN .

JOURNAL OF PHYSICAL CHEMISTRY B, 2005, 109 (15) :7124-7133

[8] Solubility of Mo6S4.5I4.5 nanowires [J].

Nicolosi, V ;

Vrbanic, D ;

Mrzel, A ;

McCauley, J ;

O'Flaherty, S ;

Mihailovic, D ;

Blau, WJ ;

Coleman, JN .

CHEMICAL PHYSICS LETTERS, 2005, 401 (1-3) :13-18

[9]

NICOLOSI V, 2004, NT 04 C SCI APPL NAN, P33903

[10] SELF-INTERACTION CORRECTION TO DENSITY-FUNCTIONAL APPROXIMATIONS FOR MANY-ELECTRON SYSTEMS [J].

PERDEW, JP ;

ZUNGER, A .

PHYSICAL REVIEW B, 1981, 23 (10) :5048-5079

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