Variational study of vacancies in solid He-4 with shadow wave functions

被引:50
作者
Pederiva, F
Chester, GV
Fantoni, S
Reatto, L
机构
[1] UNIV TRENT, INFM, I-38050 POVO, TRENTO, ITALY
[2] CORNELL UNIV, CORNELL THEORY CTR, ITHACA, NY 14853 USA
[3] CORNELL UNIV, ATOM & SOLID STATE PHYS LAB, ITHACA, NY 14853 USA
[4] SCUOLA INT SUPER STUDI AVANZATI, SISSA, I-34014 TRIESTE, ITALY
[5] UNIV MILAN, INFM, I-20133 MILAN, ITALY
[6] UNIV MILAN, DIPARTIMENTO FIS, I-20133 MILAN, ITALY
关键词
D O I
10.1103/PhysRevB.56.5909
中图分类号
T [工业技术];
学科分类号
08 ;
摘要
We employ the shadow wave function (SWF) formalism to obtain estimates of the energy of formation of a vacancy in hcp, fee, and bcc He-4 crystal at T=0 K. We find that this energy is a strong function pf density, in agreement with experiment. The use of a more efficient sampling with a smart Monte Carlo technique, allowed us to observe the motion of the vacancy through the crystal. We also present data on the occupation of the Wigner-Seitz cells. The occupation of the cells changes along the run, showing the mobility of the particles and of the vacancy. As a byproduct of this study we present results for the energy of perfect hcp and bcc crystals described by a SWF.
引用
收藏
页码:5909 / 5917
页数:9
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