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Physical Review Letters

Stability of He23HeN4 and He33HeN4 L=0 Clusters

Dario Bressanini, Gabriele Morosi

Published Apr 4, 2003• 11 citations
Publisher

Abstract

We have studied the stability of mixed $^{3}\mathrm{H}\mathrm{e}/^{4}\mathrm{H}\mathrm{e}$ clusters in $L=0$ states by the diffusion Monte Carlo method, employing the Tang-Toennies-Yiu He-He potential. The clusters $^{3}\mathrm{H}\mathrm{e}^{4}\mathrm{H}\mathrm{e}_{N}$ and $^{3}\mathrm{H}\mathrm{e}_{2}^{4}\mathrm{H}\mathrm{e}_{N}$ are stable for $N>1$. The lighter atoms tend to move to the surface of the cluster. The minimum number of $^{4}\mathrm{H}\mathrm{e}$ atoms able to bind three $^{3}\mathrm{H}\mathrm{e}$ atoms in a $L=0$ state is nine. Two of three fermionic helium atoms stay on the surface, while the third one penetrates into the cluster.

DOI
10.1103/physrevlett.90.133401

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We have studied the stability of mixed 3He/4He^{3}\mathrm{H}\mathrm{e}/^{4}\mathrm{H}\mathrm{e}3He/4He clusters in L=0L=0L=0 states by the diffusion Monte Carlo method, employing the Tang-Toennies-Yiu He-He potential. The clusters 3He4HeN^{3}\mathrm{H}\mathrm{e}^{4}\mathrm{H}\mathrm{e}_{N}3He4HeN​ and 3He24HeN^{3}\mathrm{H}\mathrm{e}_{2}^{4}\mathrm{H}\mathrm{e}_{N}3He24​HeN​ are stable for N>1N>1N>1. The lighter atoms tend to move to the surface of the cluster. The minimum number of 4He^{4}\mathrm{H}\mathrm{e}4He atoms able to bind three 3He^{3}\mathrm{H}\mathrm{e}3He atoms in a L=0L=0L=0 state is nine. Two of three fermionic helium atoms stay on the surface, while the third one penetrates into the cluster.
We have studied the stability of mixed 3He/4He clusters in L 1⁄4 0 \nand L 1⁄4 1 states by the diffusion Monte Carlo method, employing the Tang-Toennies-Yiu (TTY) He-He potential. The clusters 3He4HeM (L 1⁄4 0, S 1⁄4 12) and 3He2 4HeM (L 1⁄4 0, S 1⁄4 0) are stable for M >1, while to bind two 3He in a triplet state the minimum number of 4He is four. Considering clusters with three 3He, 3He3 4He4 is the smallest stable system in the L 1⁄4 1 state, while 3He3 4He8 is the smallest stable system in the L 1⁄4 0 state.
A stability chart of mixed 4He{}^{4}\mathrm{He}4He and 3He{}^{3}\mathrm{He}3He clusters has been obtained by means of the diffusion Monte Carlo method, using both the Aziz HFD-B and the Tang-Toennies-Yiu atom-atom interaction. The investigated clusters contain up to eight 4He{}^{4}\mathrm{He}4He atoms and up to 20 3He{}^{3}\mathrm{He}3He atoms. One single 4He{}^{4}\mathrm{He}4He binds 20 3He{}^{3}\mathrm{He}3He atoms, and two 4He{}^{4}\mathrm{He}4He bind 1, 2, 8, and more than 14 3He{}^{3}\mathrm{He}3He atoms. All clusters with three or more 4He{}^{4}\mathrm{He}4He atoms are bound, although the combinations 4He33He9,10,11{}^{4}{\mathrm{He}}_{3}^{3}{\mathrm{He}}_{9,10,11}4He33​He9,10,11​ and 4He43He9{}^{4}{\mathrm{He}}_{4}^{3}{\mathrm{He}}_{9}4He43​He9​ are metastable. Clusters with 2, 8, and 20 3He{}^{3}\mathrm{He}3He atoms are particularly stable and define magic 3He{}^{3}\mathrm{He}3He numbers.
Small helium (4He) clusters containing the lighter isotope He3 are studied by means of quantum Monte Carlo methods. Accurate ground state energies and structural properties are obtained using accurate trial wave functions and the Tang–Tonnies–Yiu (TTY) helium–helium pair potential. The dimer He4–3He is not bound; as well as the trimer He4He23. The smallest cluster containing He3 is He24He3 with a nonrigid structure having a marked linear contribution. Interestingly, this weakly bound system, with an energy one order of magnitude less than the He34 trimer, is able to bind another He3 atom, forming the tetramer He24He23, which shows the odd feature of having five out of six unbound pairs. In general, the substitution of a single He4 atom in a pure cluster with a He3 atom leads to an energetic destabilization, as the pair He4–3He is not bound. The isotopic impurity is found to perturb only weakly the distributions of the remaining He4 atoms, which retain the high floppiness already found in the pure clusters. As the number of atoms increases the isotopic impurity has the marked tendency to stay on the surface of the cluster. This behavior is consistent with the formation of the so-called “Andreev states” of a single He3 in liquid He4 helium and droplets, where the impurity tends to form single-particle states on the surface of the pure He4.
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We report results for the ground-state energy and structural properties of small (4)He-T↓ clusters consisting of up to four T↓ and eight (4)He atoms. These results have been obtained using very well-known (4)He-(4)He and T↓- T↓ interaction potentials and several models for the (4)He- T↓ interatomic potential. All the calculations have been performed with variational and diffusion Monte Carlo methods. It takes at least three atoms to form a mixed bound state. In particular, for small clusters the binding energies are significantly affected by the precise form of the (4)He- T↓ interatomic potential but the stability limits remain unchanged. The only exception is the (4)He(2)T↓ trimer whose stability in the case of the weakest (4)He- T↓ interaction potential is uncertain while it seems stable for other potentials. The mixed trimer (4)He(T↓)(2), a candidate for the Borromean state, is not bound. All other studied clusters are stable. Some of the weakest bound clusters can be classified as quantum halo as a consequence of having high probability of being in a classically forbidden region.