Literature DB >> 15089626

Why do gallium clusters have a higher melting point than the bulk?

S Chacko1, Kavita Joshi, D G Kanhere, S A Blundell.   

Abstract

Density functional molecular dynamical simulations have been performed on Ga17 and Ga13 clusters to understand the recently observed higher-than-bulk melting temperatures in small gallium clusters [Phys. Rev. Lett. 91, 215508 (2003)]]. The specific-heat curve, calculated with the multiple-histogram technique, shows the melting temperature to be well above the bulk melting point of 303 K, viz., around 650 and 1400 K for Ga17 and Ga13, respectively. The higher-than-bulk melting temperatures are attributed mainly to the covalent bonding in these clusters, in contrast with the covalent-metallic bonding in the bulk.

Entities:  

Year:  2004        PMID: 15089626     DOI: 10.1103/PhysRevLett.92.135506

Source DB:  PubMed          Journal:  Phys Rev Lett        ISSN: 0031-9007            Impact factor:   9.161


  2 in total

1.  Ion calorimetry: Using mass spectrometry to measure melting points.

Authors:  Colleen M Neal; Anne K Starace; Martin F Jarrold
Journal:  J Am Soc Mass Spectrom       Date:  2006-09-28       Impact factor: 3.109

2.  Thermally stable coexistence of liquid and solid phases in gallium nanoparticles.

Authors:  Maria Losurdo; Alexandra Suvorova; Sergey Rubanov; Kurt Hingerl; April S Brown
Journal:  Nat Mater       Date:  2016-07-25       Impact factor: 43.841

  2 in total

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