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Dynamical Studies of Antiferromagnetic Exchange Interactions in Low Dimensional Quantum Spin Systems

Published Jan 1, 2003• 0 citations
OpenAlex

Abstract

Various forms of antiferromagnetic exchange interaction among quantized spins in one-dimensional and quasi-one-dimensional lattices are examined. Primary results are reported in two real compounds, the sodium vanadate NaV2O5 and the copper germanate CuGeO3, and in a class of compounds of real materials modeled as dimerized antiferromagnetically coupled spin-1/2 chains susceptible to spin-1 impurity doping and that include such examples as the strontium cuprate Sr14Cu24O41 and vanadium pyrophosphate (VO)2P2O7. Sodium vanadate, NaV2O5, a quarter-filled two-leg ladder compound that was originally thought to be composed of magnetic legs and nonmagnetic legs was subsequently shown to be a charge ordered system below room temperature. Initial models of the material as isolated antiferromagnetically coupled spin-1/2 chains can be mapped to the subsequently resolved magnetic system of the charge ordered state with the spins on molecular orbitals of V-O-V rungs antiferromagentically coupled between neighboring rungs either on the same ladder or on neighboring ladders. Comparing the model's dynamic structure factor to inelastic neutron scattering data could distinguish between the proposed spin coupling schemes and consequently reveal the details of the interaction between the lattice and the "zig-zag" charge density as well as the magnetic stabilization of the low temperature phase. Copper germanate, the first and only known inorganic spin-Peierls compound, exhibits a strong temperature dependent exchange coupling pattern among the spin-1/2 Cu2+ chains. Above the spin-Peierls transition temperature an unmodulated antiferromagnetic nearest neighbor exchange interaction J1 competes with an antiferromagnetic next nearest neighbor interaction J2. The next nearest neighbor exchange represents an effective coupling equivalent to the net effect of all longer range exchange interactions. This frustration to the nearest neighbor spin exchange produces a distinctive magnetic susceptibility χ (T) much different from the Bonner-Fisher susceptibility of the spin-1/2 Heisenberg chain with nearest neighbor antiferromagnetic exchange only. The ratio of the second to first nearest neighbor couplings α = J2/J1 ≈ 0.36 is sufficient to open a spontaneous gap in the spin-wave excitation spectrum at low temperatures. Below TSP = 14K, the dynamical structure factor is used to fit the dimerization δ and the exchange interactions J1 and J2 to the inelastic neutron scattering data of CuGeO3 at T = 10K. It is found that both δ and α increase significantly at lower temperatures, relative to the values obtained in the high temperature phase and at the onset of dimeration at 14 K. Static structure factor calculations how Scattering inconsistent with the δ−J1−J2 model and can be attributed primarily to the phonon degrees of freedom but possibly also to the couplings between chains in the b and a directions of the crystal lattice. Structurally dimerized compounds of antiferromagnetic spin-1/2 chains possess dynamic structure factor and magnetic susceptibility features that are very sensitive to doping with magnetic and nonmagnetic impurities. It is shown that the effects of spin-1 impurities are very similar to those of nonmagnetic (S = 0) impurities if the coupling between impurity and native spin is about the same magnitude as or larger than between native S = 1/2 spins. The microscopic origins of the similarity can be appreciated with the consideration that neighboring spins to the impurity find it more energetically favorable to couple to the impurity than the other spins of the lattice. Thus the spin-1 impurity and its neighboring S = 1/2 spins decouple from the lattice, creating a nonmagnetic break in the chain. The spins that now observe a nonmagnetic cluster on one side can couple to the S = 1/2 spins on the other side with a higher AF correlation than in the pure compound since they do not have to have a fluctuating dimer resonating between two neighbors. Such enhancements to the local correlations can stabilize the global AF order in one dimensional compounds as shown in theoretical and experimental studies of CuGeO3. ED calculations of the dynamic structure factor show that S(q, ω) developes states with ω = 0 in the gap at q = π. Magnetic susceptibilites in the presense of spin-1 impurities were obtained for 80 site chains by QMC simulations and for 16 site chains by ED calculations. An impurity concentration-dependent second peak in the low temperature region reveals an increasing second maximum with T as observed in doped copper germanates and suggests that the results of the study are applicable even to phonon mediated dimerization. This is not immediately apparent because spin-phonon coupling could distort the dimerization patterns. However, experimental and theoretical results show that elastic coupling between chains can stabilize the dimerization pattern due to the impurities and the results will still apply.

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A comprehensive theoretical and experimental study is presented of the magnetic susceptibility versus temperature χ(T) of spin S = 1/2 two- and three-leg Heisenberg ladders and ladder oxide compounds. Extensive quantum Monte Carlo simulations of χ(T) were carried out for both isolated and coupled two-leg ladders with spatially anisotropic intraladder exchange. Accurate fits to these and related literature QMC data were obtained. We have also calculated the one- and two-magnon dispersion relations and the dynamical spin structure factor for anisotropic isolated 2 x 12 ladders. The exchange constants in the two-leg ladder compound SrCu2O3 are estimated from LDA+U calculations. We report the detailed crystal structure of SrCu2O3 and of the three-leg ladder compound Sr2Cu3O5. New experimental χ(T) data are reported for the two-leg ladder cuprates SrCu2O3 and LaCuO_{2.5}, and for the (nominally) two-leg ladder vanadates CaV2O5 and MgV2O5. The new and literature χ(T) data for these compounds and for Sr2Cu3O5 are modeled using our QMC χ(T) simulation fits, and the exchange coupling constants between the spins-1/2 are thereby estimated for each material. The surpisingly strong spatial anisotropy of the bilinear intraladder exchange constants in the cuprate compounds is discussed together with the results of other experiments sensitive to this anisotropy. Recent theoretical predictions are discussed including those which indicate that a four-spin cyclic exchange interaction within a Cu4 plaquette is important to determining the magnetic properties and which can significantly influence the exchange interactions estimated from χ(T) data assuming the presence of only bilinear exchange.

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Extraction of antiferromagnetic (AF) exchange constants J and J\ensuremath{'} in two-leg spin-1/2 nearest-neighbor (NN) Heisenberg ladders from experimental magnetic spin susceptibility \ensuremath{\chi}(T) data is studied, where J\ensuremath{'} is the NN exchange constant in the rungs and J is that in the legs. Two low-T (T\ensuremath{\ll}J/${\mathit{k}}_{\mathit{B}}$) approximations of Troyer, Tsunetsugu, and W\"urtz [Phys. Rev. B 50, 13 515 (1994)] for \ensuremath{\chi}(T) of the isolated spin-1/2 two-leg ladder with J\ensuremath{'}/J=1 are shown to be accurate to \ensuremath{\sim}10% when extrapolated to T\ensuremath{\sim}J\ensuremath{'}/${\mathit{k}}_{\mathit{B}}$. The variations in the magnetic excitation dispersion relation parameters [which enter the low-T expression of Troyer et al. for \ensuremath{\chi}(T)] for J\ensuremath{'}/J1 are inferred from previous theoretical results. Next, the values of the maxima in \ensuremath{\chi}(T)\ensuremath{\equiv}${\mathrm{\ensuremath{\chi}}}^{\mathrm{max}}$ from many numerical calculations in the literature for various nonfrustrated spin-1/2 NN Heisenberg antiferromagnets are considered. The values of the product ${\mathrm{\ensuremath{\chi}}}^{\mathrm{max}}$${\mathit{z}}_{\mathrm{eff}}$ are found to depend systematically and almost uniqely on an effective magnetic coordination number ${\mathit{z}}_{\mathrm{eff}}$, defined in the text, but are nearly independent of the dimensionality of the spin lattice and of the magnitude of any gap in the magnetic excitation spectrum. This observation allows accurate bounds on the exchange coupling constants in arbitrary quasi-low-dimensional spin-1/2 antiferromagnets to be inferred from experimental ${\mathrm{\ensuremath{\chi}}}^{\mathrm{max}}$ values. Finally, a mean-field-type expression for \ensuremath{\chi}(T) for arbitrary quasi-low-dimensional spin-1/2 Heisenberg antiferromagnets is derived, using the above ${\mathrm{\ensuremath{\chi}}}^{\mathrm{max}}$ phenomenology as input, which allows the influence of intersystem coupling on \ensuremath{\chi}(T) to be evaluated. These results, and the \ensuremath{\chi}(T) calculations of Barnes and Riera [Phys. Rev. B 50, 6817 (1994)] for isolated two-leg spin-1/2 Heisenberg ladders, are used to analyze the experimental \ensuremath{\chi}(T) data of Azuma et al. [Phys. Rev. Lett. 73, 3463 (1994)] for the spin-1/2 two-leg ladder compound ${\mathrm{SrCu}}_{2}$${\mathrm{O}}_{3}$. The analyses together suggest that J\ensuremath{'}/J\ensuremath{\sim}0.5, contrary to the expectation that J\ensuremath{'}/J\ensuremath{\approxeq}1, and that J is very large (\ensuremath{\sim}2000 K), similar to the value of J in the linear-chain cuprate ${\mathrm{Sr}}_{2}$${\mathrm{CuO}}_{3}$. \textcopyright{} 1996 The American Physical Society.

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This thesis describes the neutron scattering measurements of magnetic excitations in \nspin-chains and ladders. The first part discusses an experimental investigation of the copper oxide family Srâ â Cuâ â Oâ â composed of edge-sharing chains and spin-ladders. \nThe study of Laâ Srâ â Cuâ â Oâ â comprises a slightly hole-doped chain and an undoped ladder structure where the chain can be modeled by a ferromagnetic nearest and an \nantiferromagnetic next-nearest neighbor coupling. The hole effects are apparent in gaps in the dispersion relation and can be described by a charge-density wave agreeing with the commensuration of the dispersion. Investigating the undoped ladder establishes \nthe exchange constants including a cyclic exchange manifested by the two-magnon \ncontinuum and the suppression of the S = 1 bound mode. An orbital consideration \nprovides an explanation for the exchanges including the different sizes of rung and \nleg coupling. The excitation spectrum of the doped ladder in Caâ .â Srâ â .â Cuâ â Oâ â can be \ndescribed by a direct comparison with the undoped ladder and the differences consisting \nof a higher energy mode and subgap scattering can be successfully modeled by the charge spectrum of the ladder calculated from the free electron model. The second part of the thesis investigates the alternating chain material Cu(NOâ )â · 2.5D2O and establishes the gapped one-magnon dispersion, the two-magnon continuum and for the first time the S =1 bound mode. Applying magnetic field drives the system through two critical field transitions, condensation of magnons into the ground state and saturation. The modes beyond saturation can be modeled by spin wave theory and the excitations at the first critical field follow Luttinger Liquid behavior. Additionally investigated are the temperature effects with the excitations being of a different nature but containing the signature of a strong correlated system. For an outlook the measurements including temperature and field are provided with further theoretical descriptions necessary.

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Elementary excitations and thermodynamics of zig-zag spin ladders with alternating nearest-neighbor exchange interactions

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A one-dimensional spin-1∕2 model in which the alternation of the exchange interactions between neighboring spins is accompanied by the next-nearest-neighbor (NNN) spin exchange (zig-zag spin ladder with alternation) is studied. The thermodynamic characteristics of the model quantum spin chain are obtained in the mean-field-like approximation. Depending on the strength of the NNN interactions, the model manifests either the spin-gapped behavior of low-lying excitations at low magnetic fields, or ferrimagnetic ordering in the ground state with gapless low-lying excitations. The system undergoes second-order or first-order quantum phase transitions, governed by the external magnetic field, NNN coupling strength, and the degree of the alternation. Hence, NNN spin–spin interactions in a dimerized quantum spin chain can produce a spontaneous magnetization. On the other hand, for quantum spin chains with a spontaneous magnetization, caused by NNN spin–spin couplings, the alternation of nearest-neighbor (NN) exchange interactions can cause destruction of that magnetization and the onset of a spin gap for low-lying excitations. Alternating NN interactions produce a spin gap between two branches of low-energy excitations, and the NNN interactions yield asymmetry of the dispersion laws of those excitations, with possible minima corresponding to incommensurate structures in the spin chain.

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The spin-Peierls transition at ${T}_{\mathrm{SP}}$ of spin-$\frac{1}{2}$ chains with isotropic exchange interactions has previously been modeled as correlated for $T>{T}_{\mathrm{SP}}$ and mean field for $T<{T}_{\mathrm{SP}}$. We use correlated states throughout in the ${J}_{1}\text{\ensuremath{-}}{J}_{2}$ model with antiferromagnetic exchange ${J}_{1}$ and ${J}_{2}=\ensuremath{\alpha}{J}_{1}$ between first and second neighbors, respectively, and variable frustration $0\ensuremath{\le}\ensuremath{\alpha}\ensuremath{\le}0.50$. 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 ${T}_{\mathrm{SP}}$ yields both the stiffness and the lattice dimerization $\ensuremath{\delta}(T)$. The relation between ${T}_{\mathrm{SP}}$ and $\mathrm{\ensuremath{\Delta}}(\ensuremath{\delta},\ensuremath{\alpha})$, the $T=0$ gap induced by dimerization, depends strongly on $\ensuremath{\alpha}$ and deviates from the BCS gap relation that holds in uncorrelated spin chains. Correlated states account quantitatively for the magnetic susceptibility of TTF-${\mathrm{CuS}}_{4}{\mathrm{C}}_{4}{({\mathrm{CF}}_{3})}_{4}$ crystals (${J}_{1}=79\phantom{\rule{0.16em}{0ex}}\mathrm{K}$, $\ensuremath{\alpha}=0$, ${T}_{\mathrm{SP}}=12\phantom{\rule{0.16em}{0ex}}\mathrm{K}$) and ${\mathrm{CuGeO}}_{3}$ crystals (${J}_{1}=160\phantom{\rule{0.16em}{0ex}}\mathrm{K}$, $\ensuremath{\alpha}=0.35$, ${T}_{\mathrm{SP}}=14\phantom{\rule{0.16em}{0ex}}\mathrm{K}$). The same parameters describe the specific heat anomaly of ${\mathrm{CuGeO}}_{3}$ and inelastic neutron scattering. Modeling the spin-Peierls transition with correlated states exploits the fact that $\ensuremath{\delta}(0)$ limits the range of spin correlations at $T=0$ while $T>0$ limits the range at $\ensuremath{\delta}=0$.

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Effects of frustration on magnetic excitations in a two-leg spin-ladder system

Takanori Sugimoto, Michiyasu Mori, Takami Tohyama +1 more

We theoretically study the magnetic excitations in a frustrated two-leg spin-ladder system, in which antiferromagnetic exchange interactions act on the nearest-neighbor and next-nearest-neighbor bonds in the leg direction, and on the nearest-neighbor bonds in the rung direction. A dynamical spin correlation function at zero temperature is calculated using the dynamical density-matrix renormalization-group method for possible magnetic phases, i.e., columnar-dimer and rung-singlet phases. The columnar-dimer phase is characterized by multispinon excitations with a spin gap, whereas the rung-singlet phase is dominated by the triplet excitation in the rung direction. One major difference found between these two phases appears in the spectral weight of magnetic excitations, in particular, the bonding and antibonding modes in the rung direction. Therefore, we can distinguish one phase from the other by the difference in the spectral weight. Furthermore, we examine the effect of frustration on both modes in the rung-singlet phase with a perturbation theory from the strong coupling limit. The antibonding mode is shown to be stable against frustration, and a wave number with minimum excitation energy is shifted from being commensurate to being incommensurate. In contrast, the bonding mode is merged into the continuum excitation of multiple triplet excitations by increasing frustration. By comparing our results with inelastic neutron scattering experiments for BiCu${}_{2}$PO${}_{6}$, the magnitude of the magnetic exchange interactions and the ground state will be determined.

arXiv:1301.4740•Physical Review B•Apr 24, 2013•11 citations
Various forms of antiferromagnetic exchange interaction among quantized spins in one-dimensional and quasi-one-dimensional lattices are examined. Primary results are reported in two real compounds, the sodium vanadate NaV2O5 and the copper germanate CuGeO3, and in a class of compounds of real materials modeled as dimerized antiferromagnetically coupled spin-1/2 chains susceptible to spin-1 impurity doping and that include such examples as the strontium cuprate Sr14Cu24O41 and vanadium pyrophosphate (VO)2P2O7. Sodium vanadate, NaV2O5, a quarter-filled two-leg ladder compound that was originally thought to be composed of magnetic legs and nonmagnetic legs was subsequently shown to be a charge ordered system below room temperature. Initial models of the material as isolated antiferromagnetically coupled spin-1/2 chains can be mapped to the subsequently resolved magnetic system of the charge ordered state with the spins on molecular orbitals of V-O-V rungs antiferromagentically coupled between neighboring rungs either on the same ladder or on neighboring ladders. Comparing the model's dynamic structure factor to inelastic neutron scattering data could distinguish between the proposed spin coupling schemes and consequently reveal the details of the interaction between the lattice and the "zig-zag" charge density as well as the magnetic stabilization of the low temperature phase. Copper germanate, the first and only known inorganic spin-Peierls compound, exhibits a strong temperature dependent exchange coupling pattern among the spin-1/2 Cu2+ chains. Above the spin-Peierls transition temperature an unmodulated antiferromagnetic nearest neighbor exchange interaction J1 competes with an antiferromagnetic next nearest neighbor interaction J2. The next nearest neighbor exchange represents an effective coupling equivalent to the net effect of all longer range exchange interactions. This frustration to the nearest neighbor spin exchange produces a distinctive magnetic susceptibility χ (T) much different from the Bonner-Fisher susceptibility of the spin-1/2 Heisenberg chain with nearest neighbor antiferromagnetic exchange only. The ratio of the second to first nearest neighbor couplings α = J2/J1 ≈ 0.36 is sufficient to open a spontaneous gap in the spin-wave excitation spectrum at low temperatures. Below TSP = 14K, the dynamical structure factor is used to fit the dimerization δ and the exchange interactions J1 and J2 to the inelastic neutron scattering data of CuGeO3 at T = 10K. It is found that both δ and α increase significantly at lower temperatures, relative to the values obtained in the high temperature phase and at the onset of dimeration at 14 K. Static structure factor calculations how Scattering inconsistent with the δ−J1−J2 model and can be attributed primarily to the phonon degrees of freedom but possibly also to the couplings between chains in the b and a directions of the crystal lattice. Structurally dimerized compounds of antiferromagnetic spin-1/2 chains possess dynamic structure factor and magnetic susceptibility features that are very sensitive to doping with magnetic and nonmagnetic impurities. It is shown that the effects of spin-1 impurities are very similar to those of nonmagnetic (S = 0) impurities if the coupling between impurity and native spin is about the same magnitude as or larger than between native S = 1/2 spins. The microscopic origins of the similarity can be appreciated with the consideration that neighboring spins to the impurity find it more energetically favorable to couple to the impurity than the other spins of the lattice. Thus the spin-1 impurity and its neighboring S = 1/2 spins decouple from the lattice, creating a nonmagnetic break in the chain. The spins that now observe a nonmagnetic cluster on one side can couple to the S = 1/2 spins on the other side with a higher AF correlation than in the pure compound since they do not have to have a fluctuating dimer resonating between two neighbors. Such enhancements to the local correlations can stabilize the global AF order in one dimensional compounds as shown in theoretical and experimental studies of CuGeO3. ED calculations of the dynamic structure factor show that S(q, ω) developes states with ω = 0 in the gap at q = π. Magnetic susceptibilites in the presense of spin-1 impurities were obtained for 80 site chains by QMC simulations and for 16 site chains by ED calculations. An impurity concentration-dependent second peak in the low temperature region reveals an increasing second maximum with T as observed in doped copper germanates and suggests that the results of the study are applicable even to phonon mediated dimerization. This is not immediately apparent because spin-phonon coupling could distort the dimerization patterns. However, experimental and theoretical results show that elastic coupling between chains can stabilize the dimerization pattern due to the impurities and the results will still apply.
A comprehensive theoretical and experimental study is presented of the magnetic susceptibility versus temperature χ(T) of spin S = 1/2 two- and three-leg Heisenberg ladders and ladder oxide compounds. Extensive quantum Monte Carlo simulations of χ(T) were carried out for both isolated and coupled two-leg ladders with spatially anisotropic intraladder exchange. Accurate fits to these and related literature QMC data were obtained. We have also calculated the one- and two-magnon dispersion relations and the dynamical spin structure factor for anisotropic isolated 2 x 12 ladders. The exchange constants in the two-leg ladder compound SrCu2O3 are estimated from LDA+U calculations. We report the detailed crystal structure of SrCu2O3 and of the three-leg ladder compound Sr2Cu3O5. New experimental χ(T) data are reported for the two-leg ladder cuprates SrCu2O3 and LaCuO_{2.5}, and for the (nominally) two-leg ladder vanadates CaV2O5 and MgV2O5. The new and literature χ(T) data for these compounds and for Sr2Cu3O5 are modeled using our QMC χ(T) simulation fits, and the exchange coupling constants between the spins-1/2 are thereby estimated for each material. The surpisingly strong spatial anisotropy of the bilinear intraladder exchange constants in the cuprate compounds is discussed together with the results of other experiments sensitive to this anisotropy. Recent theoretical predictions are discussed including those which indicate that a four-spin cyclic exchange interaction within a Cu4 plaquette is important to determining the magnetic properties and which can significantly influence the exchange interactions estimated from χ(T) data assuming the presence of only bilinear exchange.
Extraction of antiferromagnetic (AF) exchange constants J and J\ensuremath{'} in two-leg spin-1/2 nearest-neighbor (NN) Heisenberg ladders from experimental magnetic spin susceptibility \ensuremath{\chi}(T) data is studied, where J\ensuremath{'} is the NN exchange constant in the rungs and J is that in the legs. Two low-T (T\ensuremath{\ll}J/kB{\mathit{k}}_{\mathit{B}}kB​) approximations of Troyer, Tsunetsugu, and W\"urtz [Phys. Rev. B 50, 13 515 (1994)] for \ensuremath{\chi}(T) of the isolated spin-1/2 two-leg ladder with J\ensuremath{'}/J=1 are shown to be accurate to \ensuremath{\sim}10% when extrapolated to T\ensuremath{\sim}J\ensuremath{'}/kB{\mathit{k}}_{\mathit{B}}kB​. The variations in the magnetic excitation dispersion relation parameters [which enter the low-T expression of Troyer et al. for \ensuremath{\chi}(T)] for J\ensuremath{'}/J1 are inferred from previous theoretical results. Next, the values of the maxima in \ensuremath{\chi}(T)\ensuremath{\equiv}${\mathrm{\ensuremath{\chi}}}^{\mathrm{max}}$ from many numerical calculations in the literature for various nonfrustrated spin-1/2 NN Heisenberg antiferromagnets are considered. The values of the product ${\mathrm{\ensuremath{\chi}}}^{\mathrm{max}}$zeff{\mathit{z}}_{\mathrm{eff}}zeff​ are found to depend systematically and almost uniqely on an effective magnetic coordination number zeff{\mathit{z}}_{\mathrm{eff}}zeff​, defined in the text, but are nearly independent of the dimensionality of the spin lattice and of the magnitude of any gap in the magnetic excitation spectrum. This observation allows accurate bounds on the exchange coupling constants in arbitrary quasi-low-dimensional spin-1/2 antiferromagnets to be inferred from experimental ${\mathrm{\ensuremath{\chi}}}^{\mathrm{max}}$ values. Finally, a mean-field-type expression for \ensuremath{\chi}(T) for arbitrary quasi-low-dimensional spin-1/2 Heisenberg antiferromagnets is derived, using the above ${\mathrm{\ensuremath{\chi}}}^{\mathrm{max}}$ phenomenology as input, which allows the influence of intersystem coupling on \ensuremath{\chi}(T) to be evaluated. These results, and the \ensuremath{\chi}(T) calculations of Barnes and Riera [Phys. Rev. B 50, 6817 (1994)] for isolated two-leg spin-1/2 Heisenberg ladders, are used to analyze the experimental \ensuremath{\chi}(T) data of Azuma et al. [Phys. Rev. Lett. 73, 3463 (1994)] for the spin-1/2 two-leg ladder compound SrCu2{\mathrm{SrCu}}_{2}SrCu2​O3{\mathrm{O}}_{3}O3​. The analyses together suggest that J\ensuremath{'}/J\ensuremath{\sim}0.5, contrary to the expectation that J\ensuremath{'}/J\ensuremath{\approxeq}1, and that J is very large (\ensuremath{\sim}2000 K), similar to the value of J in the linear-chain cuprate Sr2{\mathrm{Sr}}_{2}Sr2​CuO3{\mathrm{CuO}}_{3}CuO3​. \textcopyright{} 1996 The American Physical Society.
This thesis describes the neutron scattering measurements of magnetic excitations in \nspin-chains and ladders. The first part discusses an experimental investigation of the copper oxide family Srâ â Cuâ â Oâ â composed of edge-sharing chains and spin-ladders. \nThe study of Laâ Srâ â Cuâ â Oâ â comprises a slightly hole-doped chain and an undoped ladder structure where the chain can be modeled by a ferromagnetic nearest and an \nantiferromagnetic next-nearest neighbor coupling. The hole effects are apparent in gaps in the dispersion relation and can be described by a charge-density wave agreeing with the commensuration of the dispersion. Investigating the undoped ladder establishes \nthe exchange constants including a cyclic exchange manifested by the two-magnon \ncontinuum and the suppression of the S = 1 bound mode. An orbital consideration \nprovides an explanation for the exchanges including the different sizes of rung and \nleg coupling. The excitation spectrum of the doped ladder in Caâ .â Srâ â .â Cuâ â Oâ â can be \ndescribed by a direct comparison with the undoped ladder and the differences consisting \nof a higher energy mode and subgap scattering can be successfully modeled by the charge spectrum of the ladder calculated from the free electron model. The second part of the thesis investigates the alternating chain material Cu(NOâ )â · 2.5D2O and establishes the gapped one-magnon dispersion, the two-magnon continuum and for the first time the S =1 bound mode. Applying magnetic field drives the system through two critical field transitions, condensation of magnons into the ground state and saturation. The modes beyond saturation can be modeled by spin wave theory and the excitations at the first critical field follow Luttinger Liquid behavior. Additionally investigated are the temperature effects with the excitations being of a different nature but containing the signature of a strong correlated system. For an outlook the measurements including temperature and field are provided with further theoretical descriptions necessary.
A one-dimensional spin-1∕2 model in which the alternation of the exchange interactions between neighboring spins is accompanied by the next-nearest-neighbor (NNN) spin exchange (zig-zag spin ladder with alternation) is studied. The thermodynamic characteristics of the model quantum spin chain are obtained in the mean-field-like approximation. Depending on the strength of the NNN interactions, the model manifests either the spin-gapped behavior of low-lying excitations at low magnetic fields, or ferrimagnetic ordering in the ground state with gapless low-lying excitations. The system undergoes second-order or first-order quantum phase transitions, governed by the external magnetic field, NNN coupling strength, and the degree of the alternation. Hence, NNN spin–spin interactions in a dimerized quantum spin chain can produce a spontaneous magnetization. On the other hand, for quantum spin chains with a spontaneous magnetization, caused by NNN spin–spin couplings, the alternation of nearest-neighbor (NN) exchange interactions can cause destruction of that magnetization and the onset of a spin gap for low-lying excitations. Alternating NN interactions produce a spin gap between two branches of low-energy excitations, and the NNN interactions yield asymmetry of the dispersion laws of those excitations, with possible minima corresponding to incommensurate structures in the spin chain.
The spin-Peierls transition at TSP{T}_{\mathrm{SP}}TSP​ of spin-12\frac{1}{2}21​ chains with isotropic exchange interactions has previously been modeled as correlated for T>TSPT>{T}_{\mathrm{SP}}T>TSP​ and mean field for T<TSPT<{T}_{\mathrm{SP}}T<TSP​. We use correlated states throughout in the ${J}_{1}\text{\ensuremath{-}}{J}_{2}$ model with antiferromagnetic exchange J1{J}_{1}J1​ and ${J}_{2}=\ensuremath{\alpha}{J}_{1}$ between first and second neighbors, respectively, and variable frustration $0\ensuremath{\le}\ensuremath{\alpha}\ensuremath{\le}0.50$. The thermodynamic limit is reached at high TTT by exact diagonalization of short chains and at low TTT 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 TSP{T}_{\mathrm{SP}}TSP​ yields both the stiffness and the lattice dimerization $\ensuremath{\delta}(T)$. The relation between TSP{T}_{\mathrm{SP}}TSP​ and $\mathrm{\ensuremath{\Delta}}(\ensuremath{\delta},\ensuremath{\alpha})$, the T=0T=0T=0 gap induced by dimerization, depends strongly on $\ensuremath{\alpha}$ and deviates from the BCS gap relation that holds in uncorrelated spin chains. Correlated states account quantitatively for the magnetic susceptibility of TTF-CuS4C4(CF3)4{\mathrm{CuS}}_{4}{\mathrm{C}}_{4}{({\mathrm{CF}}_{3})}_{4}CuS4​C4​(CF3​)4​ crystals (J1=79K{J}_{1}=79\phantom{\rule{0.16em}{0ex}}\mathrm{K}J1​=79K, $\ensuremath{\alpha}=0$, TSP=12K{T}_{\mathrm{SP}}=12\phantom{\rule{0.16em}{0ex}}\mathrm{K}TSP​=12K) and CuGeO3{\mathrm{CuGeO}}_{3}CuGeO3​ crystals (J1=160K{J}_{1}=160\phantom{\rule{0.16em}{0ex}}\mathrm{K}J1​=160K, $\ensuremath{\alpha}=0.35$, TSP=14K{T}_{\mathrm{SP}}=14\phantom{\rule{0.16em}{0ex}}\mathrm{K}TSP​=14K). The same parameters describe the specific heat anomaly of CuGeO3{\mathrm{CuGeO}}_{3}CuGeO3​ and inelastic neutron scattering. Modeling the spin-Peierls transition with correlated states exploits the fact that $\ensuremath{\delta}(0)$ limits the range of spin correlations at T=0T=0T=0 while T>0T>0T>0 limits the range at $\ensuremath{\delta}=0$.
We theoretically study the magnetic excitations in a frustrated two-leg spin-ladder system, in which antiferromagnetic exchange interactions act on the nearest-neighbor and next-nearest-neighbor bonds in the leg direction, and on the nearest-neighbor bonds in the rung direction. A dynamical spin correlation function at zero temperature is calculated using the dynamical density-matrix renormalization-group method for possible magnetic phases, i.e., columnar-dimer and rung-singlet phases. The columnar-dimer phase is characterized by multispinon excitations with a spin gap, whereas the rung-singlet phase is dominated by the triplet excitation in the rung direction. One major difference found between these two phases appears in the spectral weight of magnetic excitations, in particular, the bonding and antibonding modes in the rung direction. Therefore, we can distinguish one phase from the other by the difference in the spectral weight. Furthermore, we examine the effect of frustration on both modes in the rung-singlet phase with a perturbation theory from the strong coupling limit. The antibonding mode is shown to be stable against frustration, and a wave number with minimum excitation energy is shifted from being commensurate to being incommensurate. In contrast, the bonding mode is merged into the continuum excitation of multiple triplet excitations by increasing frustration. By comparing our results with inelastic neutron scattering experiments for BiCu2{}_{2}2​PO6{}_{6}6​, the magnitude of the magnetic exchange interactions and the ground state will be determined.