A quantum Monte Carlo study of 4He in carbon nanotube bundles

被引：24

作者：

Boronat, J ^{[1
]}

Gordillo, MC ^{[1
]}

Casulleras, J ^{[1
]}

机构：

[1] Univ Politecn Catalunya, Dept Fis & Engn Nucl, E-08034 Barcelona, Spain

来源：

JOURNAL OF LOW TEMPERATURE PHYSICS | 2002年 / 126卷 / 1-2期

关键词：

Helium; Binding Energy; Magnetic Material; Monte Carlo Calculation; Equilibrium Density;

D O I：

10.1023/A:1013703909300

中图分类号：

O59 [应用物理学];

学科分类号：

摘要：

We present the results of a diffusion Monte Carlo calculation on the ground-state energy of He-4 adsorbed in the interstitial channels of a bundle of (10,10 nanotubes. The one-dimensionality of that system is analyzed by comparing the bundle results with the equation of state of purely ID He-4. In spite of the narrowness of the intersites, significant differences in both the binding energy and the equilibrium density of the two systems appear. Moreover, additional attraction provided by neighboring interchannels filled with helium modifies in a sizeable amount the equation of state of a single intersite.

引用

页码：199 / 204

页数：6

共 10 条

[1] A NEW DETERMINATION OF THE GROUND-STATE INTERATOMIC POTENTIAL FOR HE-2 [J].

AZIZ, RA ;

MCCOURT, FRW ;

WONG, CCK .

MOLECULAR PHYSICS, 1987, 61 (06) :1487-1511

[2] Condensation of helium in nanotube bundles [J].

Cole, MW ;

Crespi, VH ;

Stan, G ;

Ebner, C ;

Hartman, JM ;

Moroni, S ;

Boninsegni, M .

PHYSICAL REVIEW LETTERS, 2000, 84 (17) :3883-3886

[3] Quasi-one-dimensional 4He inside carbon nanotubes [J].

Gordillo, MC ;

Boronat, J ;

Casulleras, J .

PHYSICAL REVIEW B, 2000, 61 (02) :R878-R881

[4]

GORDILLO MC, IN PRESS

[5]

IJIMA S, 1991, NATURE, V354, P56

[6] FIXED-NODE QUANTUM MONTE-CARLO FOR MOLECULES [J].

REYNOLDS, PJ ;

CEPERLEY, DM ;

ALDER, BJ ;

LESTER, WA .

JOURNAL OF CHEMICAL PHYSICS, 1982, 77 (11) :5593-5603

[7] Low coverage adsorption in cylindrical pores [J].

Stan, G ;

Cole, MW .

SURFACE SCIENCE, 1998, 395 (2-3) :280-291

[8] Gases do not adsorb on the interstitial channels of closed-ended single-walled carbon nanotube bundles [J].

Talapatra, S ;

Zambano, AZ ;

Weber, SE ;

Migone, AD .

PHYSICAL REVIEW LETTERS, 2000, 85 (01) :138-141

[9] 4He desorption from single wall carbon nanotube bundles:: A one-dimensional adsorbate [J].

Teizer, W ;

Hallock, RB ;

Dujardin, E ;

Ebbesen, TW .

PHYSICAL REVIEW LETTERS, 1999, 82 (26) :5305-5308

[10] Crystalline ropes of metallic carbon nanotubes [J].

Thess, A ;

Lee, R ;

Nikolaev, P ;

Dai, HJ ;

Petit, P ;

Robert, J ;

Xu, CH ;

Lee, YH ;

Kim, SG ;

Rinzler, AG ;

Colbert, DT ;

Scuseria, GE ;

Tomanek, D ;

Fischer, JE ;

Smalley, RE .

SCIENCE, 1996, 273 (5274) :483-487

← 1 →