Quantifying exchange effects in incommensurate solid 4He

被引:0
作者
Almeida, R. [1 ]
Brito, B. G. A. [2 ]
Hai, G. -q. [3 ]
Candido, L. [1 ]
机构
[1] Univ Fed Goias, Inst Fis, BR-74001970 Goiania, GO, Brazil
[2] Univ Fed Triangulo Mineiro UFTM, Dept Fis, Inst Ciencias Exatas & Nat & Educ ICENE, BR-38064200 Uberaba, MG, Brazil
[3] Univ Sao Paulo, Inst Fis Sao Carlos, BR-13560970 Sao Carlos, SP, Brazil
基金
巴西圣保罗研究基金会;
关键词
MONTE-CARLO; VACANCIES; HELIUM; HE-4; PHASES;
D O I
10.1103/PhysRevB.109.224513
中图分类号
T [工业技术];
学科分类号
08 ;
摘要
In this paper, we use path-integral Monte Carlo (PIMC) simulations to study how the permutation effect, a specific quantum exchange phenomenon, affects the stability of incommensurate solid 4He with vacancy defects. By comparing simulations within Bose and Boltzmann statistics, we isolate the effects of quantum exchange. We examine the solids with densities from 0.028 to 0.035 & Aring;-3 and vacancy concentrations from 0.55 to 5.55% in the temperature range 0.2-2.0 K. The calculations show that permutations reduce the vacancy formation energy by up to 19%, especially at lower densities. Vacancies in the studied concentration range can lead to lattice distortions with a reduction in the local density of 1% to 5% and a compensatory increase in the neighboring regions. The Bose statistics influence the local atomic arrangement, which is reflected in the pair-correlation function, with the peaks and valleys changing by about 2% at larger distances. Permutation effects on the vacancy formation energy show a dependence on density and temperature with "steplike behavior". Our results demonstrate that quantum statistics play a significant role in shaping the structure and stability of solid 4He-containing vacancies.
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页数:9
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共 27 条
[1]   AB-INITIO CALCULATIONS FOR HELIUM - A STANDARD FOR TRANSPORT PROPERTY MEASUREMENTS [J].
AZIZ, RA ;
JANZEN, AR ;
MOLDOVER, MR .
PHYSICAL REVIEW LETTERS, 1995, 74 (09) :1586-1589
[2]   Plastic Deformation and Creep in Solid Helium [J].
Beamish, John .
JOURNAL OF LOW TEMPERATURE PHYSICS, 2019, 197 (3-4) :187-207
[3]   Fate of vacancy-induced supersolidity in 4He [J].
Boninsegni, M. ;
Kuklov, A. B. ;
Pollet, L. ;
Prokof'ev, N. V. ;
Svistunov, B. V. ;
Troyer, M. .
PHYSICAL REVIEW LETTERS, 2006, 97 (08)
[4]   Worm algorithm for continuous-space path integral Monte Carlo simulations [J].
Boninsegni, M ;
Prokof'ev, N ;
Svistunov, B .
PHYSICAL REVIEW LETTERS, 2006, 96 (07)
[5]   Simulation and understanding of atomic and molecular quantum crystals [J].
Cazorla, Claudio ;
Boronat, Jordi .
REVIEWS OF MODERN PHYSICS, 2017, 89 (03)
[6]   First-principles modeling of three-body interactions in highly compressed solid helium [J].
Cazorla, Claudio ;
Boronat, Jordi .
PHYSICAL REVIEW B, 2015, 92 (22)
[7]   PATH-INTEGRAL COMPUTATION OF THE LOW-TEMPERATURE PROPERTIES OF LIQUID-HE-4 [J].
CEPERLEY, DM ;
POLLOCK, EL .
PHYSICAL REVIEW LETTERS, 1986, 56 (04) :351-354
[8]   PATH-INTEGRALS IN THE THEORY OF CONDENSED HELIUM [J].
CEPERLEY, DM .
REVIEWS OF MODERN PHYSICS, 1995, 67 (02) :279-355
[9]   Overview on Solid 4He and the Issue of Supersolidity [J].
Chan, M. H. W. ;
Hallock, R. B. ;
Reatto, L. .
JOURNAL OF LOW TEMPERATURE PHYSICS, 2013, 172 (5-6) :317-363
[10]   Monte Carlo study of vacancies in the bcc and hcp phases of 4He [J].
Chaudhuri, B ;
Pederiva, F ;
Chester, GV .
PHYSICAL REVIEW B, 1999, 60 (05) :3271-3278