### Abstract

We study properties of vacancies in solid ^{4}He 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 language | English (US) |
---|---|

Pages (from-to) | 82-88 |

Number of pages | 7 |

Journal | Computer Physics Communications |

Volume | 179 |

Issue number | 1-3 |

DOIs | |

State | Published - Jul 1 2008 |

### Fingerprint

### 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.

Research output: Contribution to journal › Article

*Computer Physics Communications*, vol. 179, no. 1-3, pp. 82-88. https://doi.org/10.1016/j.cpc.2008.01.049

}

TY - JOUR

T1 - Path integral calculations of vacancies in solid Helium

AU - Clark, Bryan K

AU - Ceperley, David M

PY - 2008/7/1

Y1 - 2008/7/1

N2 - 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.

AB - 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.

KW - Helium

KW - Monte Carlo

KW - Path integral

KW - Quantum solid

KW - Supersolid

KW - Vacancies

UR - http://www.scopus.com/inward/record.url?scp=44649161342&partnerID=8YFLogxK

UR - http://www.scopus.com/inward/citedby.url?scp=44649161342&partnerID=8YFLogxK

U2 - 10.1016/j.cpc.2008.01.049

DO - 10.1016/j.cpc.2008.01.049

M3 - Article

AN - SCOPUS:44649161342

VL - 179

SP - 82

EP - 88

JO - Computer Physics Communications

JF - Computer Physics Communications

SN - 0010-4655

IS - 1-3

ER -