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Modeling the spin-Peierls transition of spin-$1/2$ chains with correlated states: $J_1-J_2$ model, CuGeO$_3$ and TTF-CuS$_4$C$_4$(CF$_3$)$_4$

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 Added by Sudip Kumar Saha
 Publication date 2020
  fields Physics
and research's language is English




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The spin-Peierls transition at $T_{SP}$ of spin-$1/2$ chains with isotropic exchange interactions has previously been modeled as correlated for $T > T_{SP}$ and mean field for $T < T_{SP}$. We use correlated states throughout in the $J_1-J_2$ model with antiferromagnetic exchange $J_1$ and $J_2 = alpha J_1$ between first and second neighbors, respectively, and variable frustration $0 leq alpha leq 0.50$. The thermodynamic limit is reached at high $T$ by exact diagonalization of short chains and at low $T$ by density matrix renormalization group calculations of progressively longer chains. In contrast to mean field results, correlated states of 1D models with linear spin-phonon coupling and a harmonic adiabatic lattice provide an internally consistent description in which the parameter $T_{SP}$ yields both the stiffness and the lattice dimerization $delta(T)$. The relation between $T_{SP}$ and $Delta(delta,alpha)$, the $T = 0$ gap induced by dimerization, depends strongly on $alpha$ and deviates from the BCS gap relation that holds in uncorrelated spin chains. Correlated states account quantitatively for the magnetic susceptibility of TTF-CuS$_4$C$_4$(CF$_3$)$_4$ crystals ($J_1 = 79$ K, $alpha = 0$, $T_{SP} = 12$ K) and CuGeO$_3$ crystals ($J_1 = 160$ K, $alpha = 0.35$, $T_{SP} = 14$ K). The same parameters describe the specific heat anomaly of CuGeO$_3$ and inelastic neutron scattering. Modeling the spin-Peierls transition with correlated states exploits the fact that $delta(0)$ limits the range of spin correlations at $T = 0$ while $T > 0$ limits the range at $delta= 0$.



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The spin-Peierls transition is modeled in the dimer phase of the spin-$1/2$ chain with exchanges $J_1$, $J_2 = alpha J_1$ between first and second neighbors. The degenerate ground state generates an energy cusp that qualitatively changes the dimerization $delta(T)$ compared to Peierls systems with nondegenerate ground states. The parameters $J_1 = 160$ K, $alpha = 0.35$ plus a lattice stiffness account for the magnetic susceptibility of CuGeO$_3$, its specific heat anomaly, and the $T$ dependence of the lowest gap.
K$_3$Cu$_3$AlO$_2$(SO$_4$)$_4$ is a highly one-dimensional spin-1/2 inequilateral diamond-chain antiferromagnet. Spinon continuum and spin-singlet dimer excitations are observed in the inelastic neutron scattering spectra, which is in excellent agreement with a theoretical prediction: a dimer-monomer composite structure, where the dimer is caused by strong antiferromagnetic (AFM) coupling and the monomer forms an almost isolated quantum AFM chain controlling low-energy excitations. Moreover, muon spin rotation/relaxation spectroscopy shows no long-range ordering down to 90~mK, which is roughly three orders of magnitude lower than the exchange interaction of the quantum AFM chain. K$_3$Cu$_3$AlO$_2$(SO$_4$)$_4$ is, thus, regarded as a compound that exhibits a Tomonaga-Luttinger spin liquid behavior at low temperatures close to the ground state.
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