Liquid-liquid phase coexistence in gold clusters:: 2D or not 2D?

被引:63
作者
Koskinen, Pekka
Haekkinen, Hannu
Huber, Bernd
von Issendorff, Bernd
Moseler, Michael
机构
[1] Fraunhofer Inst Werkstoffmech IWM, D-79108 Freiburg, Germany
[2] Fak Phys, D-79104 Freiburg, Germany
[3] Univ Jyvaskyla, Dept Phys, NanoSci Ctr, Jyvaskyla 40014, Finland
关键词
D O I
10.1103/PhysRevLett.98.015701
中图分类号
O4 [物理学];
学科分类号
0702 ;
摘要
The thermodynamics of gold cluster anions (Au-N(-), N=11,...,14) is investigated using quantum molecular dynamics. Our simulations suggest that Au-N(-) may exhibit a novel, freestanding planar liquid phase which dynamically coexists with a normal three-dimensional liquid. Upon cooling with experimentally realizable cooling rates, the entropy-favored three-dimensional liquid clusters often supercool and solidify into the "wrong" dimensionality. This indicates that experimental validation of theoretically predicted Au-N(-) ground states might be more complicated than hitherto expected.
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页数:4
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