Instruct: Identify the main and secondary category of Arxiv papers based on the titles and abstracts
Query: Spontaneous formation and stability of small GaP fullerenes   We report the spontaneous formation of a GaP fullerene cage in ab-initio
Molecular Dynamics simulations starting from a bulk fragment. A systematic
study of the geometric and electronic properties of neutral and ionized GaP
clusters suggests the stability of hetero-fullerenes formed by a compound with
zincblend bulk structure. We find that GaP fullerenes up to 28 atoms have high
symmetry, closed electronic shells, large HOMO-LUMO energy gaps and do not
dissociate when ionized. We compare our results for GaP with those obtained by
other groups for the corresponding BN clusters.

28
The categories of this paper are: alg-geom
8
The categories of this paper are: hep-ex
21
The categories of this paper are: adap-org
26
The categories of this paper are: bayes-an
6
The categories of this paper are: astro-ph
30
The categories of this paper are: q-alg
16
The categories of this paper are: stat
22
The categories of this paper are: chao-dyn
17
The categories of this paper are: q-fin
25
The categories of this paper are: patt-sol
32
The categories of this paper are: atom-ph
0
The categories of this paper are: hep-ph
1
The categories of this paper are: cs
7
The categories of this paper are: hep-th
20
The categories of this paper are: acc-phys
31
The categories of this paper are: ao-sci