Exact numerical study of the ground-state magnetic properties of clusters

Physical Review B - Condensed Matter and Materials Physics

Volumn 59, Issue 7, 1999, Pages 5223-5232

  Lopez Urias F ^a   Pastor, G M ^a  

^a CNRS   (France)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 0038435421     PISSN: 10980121     EISSN: 1550235X     Source Type: Journal    
DOI: 10.1103/PhysRevB.59.5223     Document Type: Article

References (50)

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38. A structure is called bipartite if two distinct subsets of lattice sites A and B can be defined such that every lattice site belongs either to A or to B and that there is no pair of NN’s belonging to the same subset. All NN bonds (or hoppings) connect a site in A with a site in B.
39. The electron-hole transformation (Formula presented) leaves the Hamiltonian formally unchanged, except for an additive constant and a change of sign in the hopping integrals, which amounts to an inversion of the SP spectrum (Formula presented)
40. We have performed calculations on icosahedral clusters (Formula presented) for (Formula presented) by projecting out double electron (hole) occupations for (Formula presented) (Formula presented) The only differences between (Formula presented) and (Formula presented) are the following. (Formula presented) (Formula presented) and (Formula presented) for (Formula presented) and 15, respectively. (Formula presented) (Formula presented) for (Formula presented) (Formula presented) for (Formula presented) In particular for (Formula presented) and (Formula presented) the results for (Formula presented) and (Formula presented) coincide.
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47. For (Formula presented) the following S are obtained in fcc clusters. (Formula presented) (Formula presented) for (Formula presented) and (Formula presented) for (Formula presented) (Formula presented) for (Formula presented) and (Formula presented) for (Formula presented) (Formula presented) and 2 for (Formula presented) and 24, respectively. Otherwise, the results for (Formula presented) coincide with those for (Formula presented) reported in Fig. 55.
48. For (Formula presented) the S of hcp clusters are the following. (Formula presented) (Formula presented) and (Formula presented) for (Formula presented) and 17, respectively. (Formula presented) (Formula presented) for (Formula presented) and (Formula presented) for (Formula presented) (Formula presented) and (Formula presented) for (Formula presented) and 20, respectively. Otherwise, (Formula presented) coincides with (Formula presented)
49. For (Formula presented) the S of bcc clusters are the same as for (Formula presented) except in the following cases. (Formula presented) (Formula presented) for (Formula presented) and (Formula presented) for (Formula presented) and (Formula presented) (Formula presented) for (Formula presented) and (Formula presented) (Formula presented) for (Formula presented) and (Formula presented)
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