Fraunhofer-Gesellschaft

Publica

Hier finden Sie wissenschaftliche Publikationen aus den Fraunhofer-Instituten.

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

 
: Koskinen, P.; Häkkinen, H.; Huber, B.; Issendorff, B. von; Moseler, M.

:
Postprint urn:nbn:de:0011-n-545980 (1.4 MByte PDF)
MD5 Fingerprint: 80a203b0fa69315b6139106410792820
Created on: 4.4.2009


Physical review letters 98 (2007), No.1, Art. 015701
ISSN: 0031-9007
ISSN: 1079-7114
English
Journal Article, Electronic Publication
Fraunhofer IWM ()
liquid-liquid transition; phase transitions in cluster; spectroscopy and geometrical structure of clusters; Cluster

Abstract
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.

: http://publica.fraunhofer.de/documents/N-54598.html