Spin structure factor and quantum phases of frustrated spin-1/2 chains

The static structure factor S(q) of frustrated spin-1/2 chains with isotropic exchange and a singlet ground state (GS) diverges at wave vector q_m when the GS has quasi-long-range order (QLRO) with periodicity 2pi/q_m but S(q_m) is finite in bond-order-wave (BOW) phases with finite-range spin correlations. Exact diagonalization and density matrix renormalization group (DMRG) calculations of S(q) indicate a decoupled phase with QLRO and q_m = pi/2 in chains with large antiferromagnetic exchange between second neighbors. S(q_m) identifies quantum phase transitions based on GS spin correlations.

Decoupled phase of frustrated spin-1/2 antiferromagnetic chains with and without long range order in the ground state

The quantum phases of one-dimensional spin $s= 1/2$ chains are discussed for models with two parameters, frustrating exchange $g = J_2 > 0$ between second neighbors and normalized nonfrustrating power-law exchange with exponent $alpha$ and distance dependence $r^{-alpha}$. The ground state (GS) at $g = 0$ has long-range order (LRO) for $alpha < 2$, long-range spin fluctuations for $alpha > 2$. The models conserve total spin $S = S_A + S_B$, have singlet GS for any $g$, $alpha ge 0$ and decouple at $1/g = 0$ to linear Heisenberg antiferromagnets on sublattices $A$ and $B$ of odd and even-numbered sites. Exact diagonalization of finite chains gives the sublattice spin $ < S^2_A >$, the magnetic gap $E_m$ to the lowest triplet state and the excitation $E_{sigma}$ to the lowest singlet with opposite inversion symmetry to the GS. An analytical model that conserves sublattice spin has a first order quantum transition at $g_c = 1/4{rm ln2}$ from a GS with perfect LRO to a decoupled phase with $S_A = S_B = 0$ for $g ge 4/pi^2$ and no correlation between spins in different sublattices. The model with $alpha = 1$ has a first order transition to a decoupled phase that closely resembles the analytical model. The bond order wave (BOW) phase and continuous quantum phase transitions of finite models with $alpha ge 2$ are discussed in terms of GS degeneracy where $E_{sigma}(g) = 0$, excited state degeneracy where $E_{sigma}(g) = E_m(g)$, and $ < S^2_A >$. The decoupled phase at large frustration has nondegenerate GS for any exponent $alpha$ and excited states related to sublattice excitations.