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 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 |
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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 journal › Article
}
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 -