On Stability of Frustrated Quantum Magnetic States in Fullerenes |
| A. Koper, M. Mucha Institute of Physics, A. Mickiewicz University, Matejki 48/49, 60-769 Ρoznań, Poland |
| Full Text PDF |
| Gutzwiller variational ground states |ΦG⟩ of π electrons, described by single-band half-filling Hubbard model, were determined for the molecules C60 and C70 and their energies and magnetic properties investigated. To construct these states two types of trial functions were used: generalized spin-density wave |ΦSD⟩ and tight-binding wave |ΦΤΒ⟩. Our results evidently show that the Gutzwiller state |ΦGTΒ⟩ determined by means of function |ΦΤΒ⟩ has lower energy than the other investigated variational states |ΦGSD⟩. Mean values of the operators in the Gutzwiller states were calculated using Monte Carlo method. |
| DOI: 10.12693/APhysPolA.92.395 PACS numbers: 74.70.Wz, 61.46.+w, 71.10.-w, 71.27.+a, 75.10.Jm, 02.50.Ng, 02.70.Lq |