Melting, premelting, and structural transitions in size-selected aluminum clusters with around 55 atoms

被引:161
作者
Breaux, GA [1 ]
Neal, CM [1 ]
Cao, B [1 ]
Jarrold, MF [1 ]
机构
[1] Indiana Univ, Dept Chem, Bloomington, IN 47404 USA
关键词
D O I
10.1103/PhysRevLett.94.173401
中图分类号
O4 [物理学];
学科分类号
0702 ;
摘要
Heat capacities have been determined for unsupported aluminum clusters, Al-49(+)- Al-63(+), from 150 to 1050 K. Peaks in the heat capacities due to melting occur between 450 and 650 K ( well below the bulk melting point of 933 K). The peaks for Al-51(+) and Al-52(+) are bimodal, suggesting the presence of a premelting transition where the surface of the clusters melts around 100 K before the core. For clusters with n> 55 the melting temperatures suddenly drop, and there is a dip in the heat capacities due to a transition between two solid forms before the clusters melt.
引用
收藏
页数:4
相关论文
共 34 条
[1]   Orbital-free molecular dynamics simulations of melting in Na8 and Na20:: Melting in steps [J].
Aguado, A ;
López, JM ;
Alonso, JA ;
Stott, MJ .
JOURNAL OF CHEMICAL PHYSICS, 1999, 111 (13) :6026-6035
[2]   Melting behavior of large disordered sodium clusters [J].
Aguado, A ;
Molina, LM ;
López, JM ;
Alonso, JA .
EUROPEAN PHYSICAL JOURNAL D, 2001, 15 (02) :221-227
[3]   Aluminum cluster anions:: Photoelectron spectroscopy and ab initio simulations [J].
Akola, J ;
Manninen, M ;
Häkkinen, H ;
Landman, U ;
Li, X ;
Wang, LS .
PHYSICAL REVIEW B, 2000, 62 (19) :13216-13228
[4]   UNEQUAL FREEZING AND MELTING TEMPERATURES FOR CLUSTERS [J].
BERRY, RS ;
JELLINEK, J ;
NATANSON, G .
CHEMICAL PHYSICS LETTERS, 1984, 107 (03) :227-230
[5]   Quantum mode phonon forces between chainmolecules [J].
Bohr, J .
INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY, 2001, 84 (02) :249-252
[6]   Gallium cluster "magic melters" [J].
Breaux, GA ;
Hillman, DA ;
Neal, CM ;
Benirschke, RC ;
Jarrold, MF .
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 2004, 126 (28) :8628-8629
[7]   Hot and solid gallium clusters: Too small to melt [J].
Breaux, GA ;
Benirschke, RC ;
Sugai, T ;
Kinnear, BS ;
Jarrold, MF .
PHYSICAL REVIEW LETTERS, 2003, 91 (21) :1-215508
[8]   MOLECULAR-DYNAMICS STUDY OF STRUCTURE AND THERMODYNAMIC PROPERTIES OF ARGON MICROCLUSTERS [J].
BRIANT, CL ;
BURTON, JJ .
JOURNAL OF CHEMICAL PHYSICS, 1975, 63 (05) :2045-2058
[9]   Mechanisms of phase transitions in sodium clusters: From molecular to bulk behavior [J].
Calvo, F ;
Spiegelmann, F .
JOURNAL OF CHEMICAL PHYSICS, 2000, 112 (06) :2888-2908
[10]   On the premelting features in sodium clusters [J].
Calvo, F ;
Spiegelman, F .
JOURNAL OF CHEMICAL PHYSICS, 2004, 120 (20) :9684-9689