Theoretical approach to the laser-induced melting of graphite under different pressure conditions

Martin E. Garcia, Harald Olaf Jeschke

Research output: Contribution to journalArticle

13 Citations (Scopus)

Abstract

We present a theoretical study of the laser-induced femtosecond melting of (1) graphite under high external pressure and (2) ultrathin graphite films under normal conditions. Our approach consists of molecular dynamic simulations performed on the basis of a time-dependent, many-body potential energy surface derived from a tight-binding Hamiltonian. Our results show that the laser-induced melting process occurs in two steps: (i) destruction of the graphite sheets via bond breaking, and (ii) merging of the melted layers. The separation of the two steps is more evident for graphite under pressure (10 GPa), but is also present in graphite films at normal pressure. The melting product is a low-density carbon phase, which remains stable under high pressure, but is unstable with an ultrashort life-time under normal pressure.

Original languageEnglish
Pages (from-to)61-70
Number of pages10
JournalApplied Surface Science
Volume208-209
Issue number1
DOIs
Publication statusPublished - Mar 15 2003
Externally publishedYes

Fingerprint

Graphite
Melting
graphite
melting
Lasers
lasers
Hamiltonians
Potential energy surfaces
Merging
destruction
Molecular dynamics
Carbon
potential energy
molecular dynamics
life (durability)
carbon
Computer simulation
products
simulation

Keywords

  • Graphite
  • Laser-induced melting
  • Molecular dynamic simulation

ASJC Scopus subject areas

  • Physical and Theoretical Chemistry
  • Surfaces, Coatings and Films
  • Condensed Matter Physics

Cite this

Theoretical approach to the laser-induced melting of graphite under different pressure conditions. / Garcia, Martin E.; Jeschke, Harald Olaf.

In: Applied Surface Science, Vol. 208-209, No. 1, 15.03.2003, p. 61-70.

Research output: Contribution to journalArticle

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