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Title: The spin-partitioned total position-spread tensor: An application to Heisenberg spin chains

The spin partition of the Total Position-Spread (TPS) tensor has been performed for one-dimensional Heisenberg chains with open boundary conditions. Both the cases of a ferromagnetic (high-spin) and an anti-ferromagnetic (low-spin) ground-state have been considered. In the case of a low-spin ground-state, the use of alternating magnetic couplings allowed to investigate the effect of spin-pairing. The behavior of the spin-partitioned TPS (SP-TPS) tensor as a function of the number of sites turned to be closely related to the presence of an energy gap between the ground-state and the first excited-state at the thermodynamic limit. Indeed, a gapped energy spectrum is associated to a linear growth of the SP-TPS tensor with the number of sites. On the other hand, in gapless situations, the spread presents a faster-than-linear growth, resulting in the divergence of its per-site value. Finally, for the case of a high-spin wave function, an analytical expression of the dependence of the SP-TPS on the number of sites n and the total spin-projection S{sub z} has been derived.
Authors:
;  [1] ; ; ;  [2] ;  [3]
  1. Institut für Chemie und Biochemie, Freie Universität Berlin, Takustr. 3, 14195 Berlin (Germany)
  2. Laboratoire de Chimie et Physique Quantiques–LCPQ/IRSAMC, Université de Toulouse (UPS) et CNRS (UMR-5626), 118 Route de Narbonne, Toulouse Cedex 31062 (France)
  3. Dipartimento di Chimica Industriale “Toso Montanari,” Università di Bologna, Viale Risorgimento 4, I–40136 Bologna (Italy)
Publication Date:
OSTI Identifier:
22493407
Resource Type:
Journal Article
Resource Relation:
Journal Name: Journal of Chemical Physics; Journal Volume: 143; Journal Issue: 24; Other Information: (c) 2015 AIP Publishing LLC; Country of input: International Atomic Energy Agency (IAEA)
Country of Publication:
United States
Language:
English
Subject:
75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND SUPERFLUIDITY; ANTIFERROMAGNETISM; BOUNDARY CONDITIONS; COUPLING; ENERGY GAP; ENERGY SPECTRA; EXCITED STATES; FERROMAGNETISM; GROUND STATES; HEISENBERG MODEL; ONE-DIMENSIONAL CALCULATIONS; SPIN; SPIN WAVES; TENSORS; THERMODYNAMICS