Path integral calculations of vacancies in solid Helium

Research output: Contribution to journalArticle

Abstract

We study properties of vacancies in solid 4He using Path Integral Monte Carlo. We find, in agreement with other calculations, that the energy to create a single vacancy is 11.5 K and is monotonic with the number of vacancies. If more then a few percent of the system becomes vacant, we find the system becomes unstable to melting. We show the number of exchanges in the system is increased by vacancies and how the underlying lattice is altered by the presence of a vacancy. We also examine the efficacy of using a tight binding Hamiltonian to describe the vacancy in the crystal, show that vacancies are attractive, and find values for the effective mass and inter-vacancy attraction.

Original languageEnglish (US)
Pages (from-to)82-88
Number of pages7
JournalComputer Physics Communications
Volume179
Issue number1-3
DOIs
StatePublished - Jul 1 2008

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Vacancies
Helium
helium
Hamiltonians
Crystal lattices
attraction
Melting
melting
Crystals
crystals

Keywords

  • Helium
  • Monte Carlo
  • Path integral
  • Quantum solid
  • Supersolid
  • Vacancies

ASJC Scopus subject areas

  • Computer Science Applications
  • Physics and Astronomy(all)

Cite this

Path integral calculations of vacancies in solid Helium. / Clark, Bryan K; Ceperley, David M.

In: Computer Physics Communications, Vol. 179, No. 1-3, 01.07.2008, p. 82-88.

Research output: Contribution to journalArticle

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