https://doi.org/10.1140/epjb/e2006-00259-9
Parity law of the singlet-triplet gap in graphitic ribbons
1
Laboratoire de Chimie et Physique Quantique, IRSAMC/UMR5626, Université Paul Sabatier, 118 route de Narbonne, 31062 Toulouse Cedex 4, France
2
Laboratoire de Physique Théorique, IRSAMC/UMR5152, Université Paul Sabatier, 118 route de Narbonne, 31062 Toulouse Cedex 4, France
3
CRISMAT, 6 Bd Maréchal Juin, 14050 Caen Cedex, France
4
Department of Applied Physics, University of Tokyo, Tokyo, 113-8656, Japan
Corresponding author: a sylvain.capponi@irsamc.ups-tlse.fr
Received:
24
January
2006
Revised:
14
March
2006
Published online:
28
June
2006
This work explores the possibility to transfer the parity law of the singlet-triplet gap established for square ladders (gapped for even number of legs, gapless for odd number of legs) to fused polyacenic 1-D systems, i.e., graphite ribbons. Qualitative arguments are presented in favor of a gapped character when the number nω of benzene rings along the ribbon width is odd. A series of numerical calculations (quantitative mapping on spin 1/2 chains, renormalized excitonic treatments and Quantum Monte Carlo) confirms the parity law and the gapless character of the ribbon for even nω.
PACS: 71.10.-W – Theories and models of many-electron systems / 71.15.Nc – Total energy and cohesive energy calculations / 75.10.Jm – Quantized spin models
© EDP Sciences, Società Italiana di Fisica, Springer-Verlag, 2006