The spin-1/2 chain with isotropic exchange J1, J2 > 0 between first and second neighbors is frustrated for either sign of J1 and has a singlet ground state (GS) for J1/J2 ⩾ -4. Its rich quantum phase diagram supports gapless, gapped, commensurate (C), incommensurate (IC) and other phases. Critical points J1/J2 are evaluated using exact diagonalization and density matrix renormalization group calculations. The wave vector qG of spin correlations is related to GS degeneracy and obtained as the peak of the spin structure factor S(q). Variable qG indicates IC phases in two J1/J2 intervals, [-4, - 1.24] and [0.44, 2], and a C-IC point at J1/J2 = 2. The decoupled C phase in [-1.24, 0.44] has constant qG = π/2, nondegenerate GS, and a lowest triplet state with broken spin density on sublattices of odd and even numbered sites. The lowest triplet and singlet excitations, E m and Eσ, are degenerate in finite systems at specific frustration J1/J2. Level crossing extrapolates in the thermodynamic limit to the same critical points as qG. The S(q) peak diverges at qG = π in the gapless phase with J1/J2 > 4.148 and quasi-long-range order (QLRO(π)). S(q) diverges at ±π/2 in the decoupled phase with QLRO(π/2), but is finite in gapped phases with finite-range correlations. Numerical results and field theory agree at small J2/J1 but disagree for the decoupled phase with weak exchange J1 between sublattices. Two related models are summarized: one has an exact gapless decoupled phase with QLRO(π/2) and no IC phases; the other has a single IC phase without a decoupled phase in between.
The spin-1/2 chain with isotropic Heisenberg exchange J1, J2 > 0 between first and second neighbors is frustrated for either sign of J1. Its quantum phase diagram has critical points at fixed J1/J2 between gapless phases with nondegenerate ground state (GS) and quasi-long-range order (QLRO) and gapped phases with doubly degenerate GS and spin correlation functions of finite range. In finite chains, exact diagonalization (ED) estimates critical points as level crossing of excited states. GS spin correlations enter in the spin structure factor S(q) that diverges at wave vector qm in QLRO(q(m)) phases with periodicity 2π/q(m) but remains finite in gapped phases. S(q(m)) is evaluated using ED and density matrix renormalization group (DMRG) calculations. Level crossing and the magnitude of S(q(m)) are independent and complementary probes of quantum phases, based respectively on excited and ground states. Both indicate a gapless QLRO(π/2) phase between -1.2 < J1/|J2| < 0.45. Numerical results and field theory agree well for quantum critical points at small frustration J2 but disagree in the sector of weak exchange J1 between Heisenberg antiferromagnetic chains on sublattices of odd and even-numbered sites.
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 2π/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 = π/2 in chains with large antiferromagnetic exchange between second neighbors. S(q_m) identifies quantum phase transitions based on GS spin correlations.
The quantum phases of one-dimensional spin
s=1/2 chains are discussed for models with two parameters, frustrating exchange
g=J2>0 between second neighbors and normalized nonfrustrating power-law exchange with exponent $\ensuremath{\alpha}$ and distance dependence ${r}^{\ensuremath{-}\ensuremath{\alpha}}$. The ground state (GS) at
g=0 has a long-range order (LRO) for $\ensuremath{\alpha}<2$ and long-range spin fluctuations for $\ensuremath{\alpha}>2$. The models conserve total spin
S=SA+SB, have singlet GS for any
g, $\ensuremath{\alpha}\ensuremath{\ge}0$ 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 $\ensuremath{\langle}{S}_{A}^{2}\ensuremath{\rangle}$, the magnetic gap
Em to the lowest triplet state, and the excitation ${E}_{\ensuremath{\sigma}}$ 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
gc=1/4ln2 from a GS with perfect LRO to a decoupled phase with
SA=SB=0 for $g\ensuremath{\ge}4/{\ensuremath{\pi}}^{2}$ and no correlation between spins in different sublattices. The model with $\ensuremath{\alpha}=1$ 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 $\ensuremath{\alpha}\ensuremath{\ge}2$ are discussed in terms of GS degeneracy where ${E}_{\ensuremath{\sigma}}(g)=0$, excited state degeneracy where ${E}_{\ensuremath{\sigma}}(g)={E}_{m}(g)$, and $\ensuremath{\langle}{S}_{A}^{2}\ensuremath{\rangle}$. The decoupled phase at large frustration has nondegenerate GS for any exponent $\ensuremath{\alpha}$ and excited states related to sublattice excitations.
Exact diagonalization of finite spin-1/2 chains with periodic boundary conditions is applied to the ground state (GS) of chains with ferromagnetic (F) exchange
J1<0 between first neighbors, antiferromagnetic (AF) exchange ${J}_{2}=\ensuremath{\alpha}{J}_{1}>0$ between second neighbors, and axial anisotropy $0\ensuremath{\le}\ensuremath{\Delta}\ensuremath{\le}1$. In zero field, the GS is in the
Sz=0 sector for the relevant parameters and is doubly degenerate at multiple points ${\ensuremath{\gamma}}_{m}=({\ensuremath{\alpha}}_{m},{\ensuremath{\Delta}}_{m})$ in the $\ensuremath{\alpha}$, $\ensuremath{\Delta}$ plane. Degeneracy under inversion at sites or spin-parity or both leads, respectively, to a bond order wave (BOW), to staggered magnetization, or to vector chiral (VC) order. Exact results up to
N=28 spins directly yield order parameters and spin correlation functions whose weak
N dependencies allow inferences about infinite chains. The high-spin GS at
J2=0 changes discontinuously at ${\ensuremath{\gamma}}_{1}=(\ensuremath{-}1/4,1)$ to a singlet in the isotropic ($\ensuremath{\Delta}=1$) chain. The transition from high to low spin $S(\ensuremath{\alpha},\ensuremath{\Delta})$ is continuous for $\ensuremath{\Delta}<{\ensuremath{\Delta}}_{B}=0.95\ifmmode\pm\else\textpm\fi{}0.01$ on the degeneracy line ${\ensuremath{\alpha}}_{1}(\ensuremath{\Delta})$. The GS has staggered magnetization between ${\ensuremath{\Delta}}_{A}=0.72$ and ${\ensuremath{\Delta}}_{B}$ and a BOW for $\ensuremath{\Delta}<{\ensuremath{\Delta}}_{A}$. When both inversion and spin-parity are reversed at ${\ensuremath{\gamma}}_{m}$, the correlation functions
C(p) for spins separated by
p sites are identical.
C(p) minima are shifted by $\ensuremath{\pi}/2$ from the minima of VC order parameters at separation
p, consistent with right- and left-handed helices along the
z axis and spins in the
xy plane. Degenerate GSs of finite chains are related to quantum phase diagrams of extended $\ensuremath{\alpha}$, $\ensuremath{\Delta}$ chains, with good agreement for order parameters along the line ${\ensuremath{\alpha}}_{1}(\ensuremath{\Delta})$. Degenerate GSs limit a VC phase to intermediate $\ensuremath{\alpha}$ and $\ensuremath{\Delta}$ where $S(\ensuremath{\alpha},\ensuremath{\Delta})$ varies rapidly but continuously, in contrast to many-body treatments in which VC phases extend over a larger range of parameters.
We investigate the quantum spin-1/2 zigzag chain with frustrated ${J}_{1}\ensuremath{-}{J}_{2}$ Heisenberg interactions, incorporating additional off-diagonal exchange interactions known as the $\mathrm{\ensuremath{\Gamma}}$ term, both with and without an applied magnetic field. Based on the density-matrix renormalization group calculation, we map out the ground-state phase diagram that shows a variety of magnetic and nonmagnetic phases including multicritical points and several exactly solvable points. Upon introducing a finite $\mathrm{\ensuremath{\Gamma}}$ term, we observe the persistent dimer-singlet state of the ${J}_{1}\ensuremath{-}{J}_{2}$ Heisenberg model, sustaining a nonzero spin gap, while also hosting a gapless nonmagnetic excitation that manifests in the substantial zero-energy peak in the nematic dynamical structure factor. This gapless peak-mode, remaining almost as a fluctuation to the ground state, induces a dilute but robust concentration of nematicity on top of singlets on dimers, which we call the nematic singlet-dimer phase. When the whole nematic excited mode condenses and replaces the singlet, the nematic-dimer phase transforms into the Ising-type ferromagnetic or antiferromagnetic long-range orders. The $\mathrm{\ensuremath{\Gamma}}$ term spontaneously selects magnetic easy axes, and their orientations dictate the type of magnetic order under geometric frustration effects as predicted by Landau's mean-field theory. These theoretical findings provide insights into the exotic low-temperature phase observed in
YbCuS2, characterized by gapless excitations and seemingly nonmagnetic behavior.
The frustrated ladder with alternate ferromagnetic(F) exchange
−JF and AF exchange
JA to first neighbors and F exchange
−JL to second neighbors is studied by exact diagonalization (ED) and density matrix renormalization group (DMRG) calculations in systems of
2N spins-1/2 with periodic boundary conditions. The ground state is a singlet
(S=0) and the singlet-triplet gap
εT is finite for the exchanges considered. Spin-1/2 string correlation functions
g1(N) and
g2(N) are defined for an even number
N of consecutive spins in systems with two spins per unit cell; the ladder has string order
g2(∞)>0 and
g1(∞)=0. The minimum
N∗ of
g2(N) is related to the range of ground-state spin correlations. Convergence to
g2(∞) is from below, and
g1(N) decreases exponentially for
N≥N∗. Singlet valence bond (VB) diagrams account for the size dependencies. The frustrated ladder at special values of
JF,
JL and
JA reduces to well-known models such as the spin-1 Heisenberg antiferromagnet and the
J1−J2 model, among others. Numerical analysis of ladders matches previous results for spin-1 gaps or string correlation functions and extends them to spin-1/2 systems. The nondegenerate singlet ground state of ladder is a bond-order wave, a Kekulé VB diagrams at
JL=JF/2≤JA, that is reversed on interchanging
−JF and
JA. Inversion symmetry is spontaneously broken in the dimer phase of the
J1−J2 model where the Kekulé diagrams are the doubly degenerate ground states at
J2/J1=1/2.