Naslov
Helium molecules within carbon nanotubes

Autori
Vranješ, Leandra ; Antunović, Željko ; Kilić, Srećko

Izvornik
Physica B (0921-4526) 329-333 (2003); 276-277

Vrsta, podvrsta i kategorija rada
Radovi u časopisima, članak, znanstveni

Ključne riječi
Helium dimer and trimer; binding; carbon nanotubes

Sažetak
The ground state properties of ^3He and ^4He dimers and trimers in infinite carbon nanotubes are studied. The ground state eigen-functions of a helium atom in tubes of different radii are obtained numerically and then fitted by analytic expressions. Total wave function is assumed to be a product of Jastrow-Feenberg (JF) pair correlation and one particle functions. After extensive Monte Carlo (MC) calculation in two successive stages, VMC (simple variational MC) and DMC (diffusion MC) it is found that binding depends on the tube radius and it has the maximum for a certain tube width. This radius is between 5 and 7\AA, and the average distance between atoms in such tubes is ranges from 5 to 10\AA. The difference in binding between bosons and fermions disappears for R goes to 0.

Izvorni jezik
Engleski

Znanstvena područja
Fizika

POVEZANOST RADA