For broad nanoscale applications, it is crucial to implement more functional properties, especially those ferroic orders, into two-dimensional materials. Here GdI$_3$ is theoretically identified as a honeycomb antiferromagnet with large $4f$ magnetic moment. The intercalation of metal atoms can dope electrons into Gd's $5d$-orbitals, which alters its magnetic state and lead to Peierls transition. Due to the strong electron-phonon coupling, the Peierls transition induces prominent ferroelasticity, making it a multiferroic system. The strain from undirectional stretching can be self-relaxed via resizing of triple ferroelastic domains, which can protect the magnet aganist mechnical breaking in flexible applications.
We report a new tetragonal ground-state for perovskite-structured PbCrO3 from DFT+U calculations, and explain its anomalously large volume. The new structure is stabilized due to orbital ordering of Cr-d in the presence of a large tetragonal crystal field, mainly due to off-centering of the Pb atom. At higher pressures (smaller volumes) there is a first-order transition to a cubic phase where the Cr-d orbitals are orbitally liquid. This phase-transition is accompanied by a ~11.5% volume collapse, one of the largest known for transition-metal oxides. The large ferroelasticity and its strong cou…
The validity of the adiabatic approach to spin-Peierls transitions is assessed. An alternative approach is developed which maps the initial magneto-elastic problem to an effective magnetic problem only. Thus the equivalence of magneto-elastic solitons and magnetic spinons is shown. No soft phonon is required for the transition. Temperature dependent couplings are predicted in accordance with the analysis of experimental data.
Orbital susceptibility for Bloch electrons is calculated for the first time up to the first order with respect to overlap integrals between the neighboring atomic orbitals, assuming single-band models. A general and rigorous theory of orbital susceptibility developed in the preceding paper is applied to single-band models in two-dimensional square and triangular lattices. In addition to the Landau-Peierls orbital susceptibility, it is found that there are comparable contributions from the Fermi surface and from the occupied states in the partially filled band called intraband atomic diamagneti…
It is shown that temperature acts to disrupt the magnetization of Peierls distorted quasi-one-dimensional materials (Q1DM). The mean-field finite temperature phase diagram for the field theory model employed is obtained by considering both homogeneous and inhomogeneous condensates. The tricritical points of the second order transition lines of the gap parameter and magnetization are explicitly calculated. It is also shown that in the absence of an external static magnetic field the magnetization is always zero, at any temperature. As expected, temperature does not induce any magnetization effe…
We compute the magnetic profile of spin Peierls solitons in a simple Heisenberg model with magneto elastic couplings, using independently the DMRG method and the Hartree Fock approximation. Our results agree qualitatively with published NMR data provided we average over the spin profiles. We conclude that he dynamics of the spin plus lattice system must be included in a more detailed theory of the spin Peierls transition in CuGeO.
The fraction of the paramagnetic phase surviving at the impurity-induced antiferromagnetic order transition of the doped spin-Peierls magnet Cu(1-x)Mg(x)GeO3 (x < 5%) is found to increase with an external magnetic field. This effect is qualitatively explained by the competition of Zeeman energy and exchange interaction between local antiferromagnetic clusters
We investigate the magnetic field dependence of the spin-Peierls transition in NaV$_2$O$_5$ in the field range 16T-30T. The transition temperature exhibits a very weak variation with the field, suggesting a novel mechanism for the formation of the spin-Peierls state. We argue that a charge ordering transition accompanied by singlet formation is consistent with our observations.
We have measured the magnetic susceptibility of single-crystal Cu_{1-x}Ni_xGeO_3 to study doping effects of the magnetic impurity (Ni^{2+} has S=1 spin) on the inorganic spin-Peierls (SP) material CuGeO_3. We observed the disappearance of the SP transition and the abrupt increase of the Neel temperature from 2.5 to 3.4 K at x nearly equal to 0.020, which indicates the first-order phase transition between the dimerized-antiferromagnetic (D-AF) and the uniform-antiferromagnetic (U-AF) phases, as was discovered in Mg-doped (Mg^{2+} is nonmagnetic) system [T. Masuda et al., Phys. Rev. Lett. 80, 45…
We analyze the excitation spectra of a spin-phonon coupled chain in the presence of a soliton. This is taken as a microscopic model of a Spin-Peierls material placed in a high magnetic field. We show, by using a semiclassical approximation in the bosonized representation of the spins that a trapped magnetic state obtained in the adiabatic approximation is destroyed by dynamical phonons. Low energy states are phonons trapped by the soliton. When the magnetic gap is smaller than the phonon frequencies the only low energy state is a mixed magneto-phonon state with the energy of the gap. We emphas…
Based on a model of a quasi-one dimensional spin-Peierls system doped with non-magnetic impurities, an effective two-dimensional Hamiltonian of randomly distributed S=1/2 spins interacting via long-range pair-wise interaction is studied using a stochastic series expansion quantum Monte Carlo method. The susceptibility shows Curie-like behavior at the lowest temperatures reached although the staggered magnetisation is found to be finite for $T\to 0$. The doping dependance of the corresponding three-dimensional Neel temperature is also computed.
We report an ultrasonic study of the magneto-elastic coupling of the hydrogenated and deuterated (TMTTF)$_2$PF$_6$ organic salts. For both salts the temperature dependence of the longitudinal velocity along the c* axis displays a monotonic stiffening of the $C_{33}$ compressibility modulus upon cooling. Below the characteristic temperature scale 40 K the modulus stiffening becomes markedly enhanced, in concomitance with the reduction of spin degrees of freedom previously seen in magnetic measurements as low dimensional precursors of the spin-Peierls transition. The magneto-elastic coupling app…
ESR of the pure monocrystals of CuGeO3 is studied in the frequency range 9-75 GHz and in the temperature interval 1.2-25 K. The splitting of the ESR line into several spectral components is observed below 5 K, in the temperature range where the magnetic susceptibility is suppressed by the spin-Peierls dimerization. The analysis of the magnetic resonance signals allows one to separate the signals of the S=1/2- and S=1 defects of the spin-Peierls phase. The value of g-factor of these signals is close to that of the Cu-ion. The additional line of the magnetic resonance is characterized by an anom…
The impurity induced antiferromagnetic ordering of the doped spin-Peierls magnet Cu(1-x)Mg(x)GeO(3) was studied by ESR technique. Crystals with the Mg concentration x<4% demonstrate a coexistence of paramagnetic and antiferromagnetic ESR modes. This coexistence indicates the separation of a macroscopically uniform sample in the paramagnetic and antiferromagnetic phases. In the presence of the long-range spin-Peierls order (in a sample with x=1.71%) the volume of the antiferromagnetic phase immediately below the Néel point T_N is much smaller than the volume of the paramagnetic phase. In the pr…
We have calculated the magnetic excitation spectrum in frustrated and dimerized spin 1/2 Heisenberg chains for model parameters which describe the thermodynamics and low frequency spin dynamics in the spin--Peierls system $CuGeO_{3}$. As a test the chosen model is found to reproduce the lowest Raman excitation energy near $30 cm^{-1}$ in the dimerized phase. We establish the elementary triplet and singlet excitation branches below the continuum and estimate the interchain coupling effects on the dimerization parameter.
We investigate elastic deformations of spin $S=1/2$ antiferromagnetic $J_1-J_2$ Heisenberg chains, at $M=1/3$ magnetization, coupled to phonons in the adiabatic approximation. Using a bosonization approach we predict the existence of non-homogeneous trimerized magnetoelastic phases. A rich ground state phase diagram is found, including classical and quantum plateau states for the magnetic sector as well as inequivalent lattice deformations within each magnetic phase. The analytical results are supported by exact diagonalization of small clusters.
We predict the new type of phase transition in quasi one-dimensional system of interacting electrons at high magnetic fields, the stabilization of a density wave which transforms a two dimensional open Fermi surface into a periodic chain of large pockets with small distances between them. We show that quantum tunneling of electrons between the neighboring closed orbits enveloping these pockets transforms the electron spectrum into a set of extremely narrow energy bands and gaps that decreases the total electron energy, thus leading to a \emph{magnetic breakdown induced density wave} ground sta…
A study is presented of a two-dimensional frustrated and dimerized quantum spin-system which models the effect of inter-chain coupling in a spin-Peierls compound. Employing a bond-boson method to account for quantum disorder in the ground state the elementary excitations are evaluated in terms of gapful triplet modes. Results for the ground state energy and the spin gap are discussed. The triplet dispersion is found to be in excellent agreement with inelastic neutron scattering data in the dimerized phase of the spin-Peierls compound CuGeO_3. Moreover, consistent with these neutron scattering …
Polarized far-infrared (FIR) spectroscopic measurements and FIR magneto-optical studies were performed on the inorganic spin-Peierls compound CuGeO_3. An absorption line, which was found at 98 cm$^{-1}$ in the dimerized phase (D phase), was assigned to a folded phonon mode of B$_{3u}$ symmetry. The splitting of the folded mode into two components in the incommensurate phase (IC phase) has been observed for the first time. A new broad absorption centered at 63 cm$^{-1}$ was observed only in the ${\bf E}\parallel b$ axis polarization, which was assigned to a magnetic excitation from singlet grou…
The effects of magnetic and non-magnetic impurities in spin-Peierls systems are investigated allowing for lattice relaxation and quantum fluctuations. We show that, in isolated chains, strong bonds form next to impurities, leading to the appearance of magneto-elastic solitons. Generically, these solitonic excitations do not bind to impurities. However, interchain elastic coupling produces an attractive potential at the impurity site which can lead to the formation of bound states. In addition, we predict that small enough chain segments do not carry magnetic moments at the ends.
For a class of frustrated antiferromagnetic spin lattices (in particular, the square-kagomé and kagomé lattices) we discuss the impact of recently discovered exact eigenstates on the stability of the lattice against distortions. These eigenstates consist of independent localized magnons embedded in a ferromagnetic environment and become ground states in high magnetic fields. For appropriate lattice distortions fitting to the structure of the localized magnons the lowering of magnetic energy can be calculated exactly and is proportional to the displacement of atoms leading to a spin-Peierls lat…
Motivated by the intriguing properties of magnetic molecular wheels at field induced level crossings, we investigate the spin-Peierls instability of antiferromagnetic rings in a field by exact diagonalizations of a microscopic spin model coupled to the lattice via a distortion dependent Dzyaloshinskii-Moriya interaction. We show that, beyond the unconditional instability at level crossings for infinitesimal magnetoelastic coupling, the model is characterized by a stronger tendency to distort at higher level crossings, and by a dramatic angular dependence with very sharp torque anomalies when t…
A magnetic model is proposed for describing the incommensurate I phase of spin-Peierls systems. Based on the harmonicity of the lattice distortion, its main ingredient is that the distortion of the lattice adjusts to the average magnetization such that the system is always gapful. The presence of dynamical incommensurabilities in the fluctuation spectra is also predicted. Recent experimental results for CuGeO_3 obtained by NMR, ESR and light scattering absorption are well understood within this model.
Neutron spectroscopy has revealed a highly unusual magnetic structure and dynamics in YVO$_3$, an insulating pseudocubic perovskite that undergoes a series of temperature induced phase transitions between states with different spin and orbital ordering patterns. A good description of the neutron data is obtained by a theoretical analysis of the spin and orbital correlations of a realistic one-dimensional model. This leads to the tentative identification of one of the phases of YVO$_3$ with the ``orbital Peierls state'', a theoretically proposed many-body state comprised of orbital singlet bond…
The dynamical spin structure factor and the Raman response are calculated for structurally dimerized and spin-Peierls chains in a magnetic field, using exact diagonalization techniques. In both cases there is a spin liquid phase composed of interacting singlet dimers at small fields h < h_c1, an incommensurate regime (h_c1 < h < h_c2) in which the modulation of the triplet excitation spectra adapts to the applied field, and a fully spin polarized phase above an upper critical field h_c2. For structurally dimerized chains, the spin gap closes in the incommensurate phase, whereas spin-Peierls ch…
The magnetic field--driven transition in the spin-Peierls system CuGeO_3 associated with the closing of the spin gap is investigated numerically. The field dependence of the spin dynamical structure factor (seen by inelastic neutron scattering) and of the momentum dependent static susceptibility are calculated. In the dimerized phase (H<H_c), we suggest that the strong field dependence of the transverse susceptibility could be experimentally seen from the low temperature spin-echo relaxation rate 1/T_{2G} or the second moment of the NMR spectrum. Above H_c low energy spin excitations appear at…
On the basis of ab initio density functional theory (DFT) calculations, we derive the underlying microscopic model Hamiltonian for TiOCl, a unique system that shows two consecutive phase transitions from a Mott insulator to a spin-Peierls insulator through a structurally incommensurate phase. We show with our model that the presence of magnetic frustration in TiOCl leads to a competition with the spin-Peierls distortion, which results in the novel incommensurate phase. In addition, our calculations indicate that the spin-Peierls state is triggered by adiabatic phonons, which is essential for u…
We predict a new type of phase transition in a quasi-two dimensional system of electrons at high magnetic fields, namely the stabilization of a density wave which transforms a two dimensional open Fermi surface into a periodic chain of large pockets with small distances between them. The quantum tunneling of electrons between the neighboring closed orbits enveloping these pockets transforms the electron spectrum into a set of extremely narrow energy bands and gaps which decreases the total electron energy, thus leading to a magnetic breakdown induced density wave (MBIDW) ground state. We show …
The magnetic resonance spectrum of spin clusters formed in spin-Peierls magnets in the vicinity of impurity ions was investigated. The observed temperature dependences of the effective g-factor and the linewidth of the electron spin resonance (ESR) in crystals of Cu(1-x)Ni(x)GeO(3) are described in the model of the exchange narrowing of the two-component spectrum with one component ascribed to spin clusters and exhibiting an anomalous value of the $g$-factor and the other related to triplet excitations. An estimation of the size of the suppressed dimerization region around the impurity ion is …
We examine spin-Peierls systems in the presence of spin defects which are introduced by replacing magnetic ions $Cu^{2+}$ with non-magnetic ones $Zn^{2+}$ in $CuGeO_3$. By using the action for the bosonized Hamiltonian, it is shown directly that the antiferromagnetic state induced by the spin defects coexists with the spin-Peierls states. Further the doping dependences of both transition temperature of spin-Peierls state and the spin gap have been calculated. The transition temperature of the present estimation shows good agreement quantitatively with that observed in $Cu_{1-\de} Zn_\de O_3$ f…
The chemical selectivity and great sensitivity of the Extended X-ray Absorption Spectroscopy technique allowed the determination, in the paramagnetic phase, of the structural distortions induced by doping in the spin-Peierls CuGeO$_3$ compound. The distorted environments were analyzed as a function of concentration, magnetic nature of impurity and the substitution site (Ni, Mn and Zn impurities on the Cu site, Si impurity on the Ge site). This has led to estimate the variation of the angles and pair distances, and hence to evaluate the magnetic coupling along the Cu chains in the vicinity of t…
Interacting one-dimensional conductors with Rashba spin-orbit coupling are shown to exhibit a spin-selective Peierls-type transition into a mixed spin-charge-density-wave state. The transition leads to a gap for one-half of the conducting modes, which is strongly enhanced by electron-electron interactions. The other half of the modes remains in a strongly renormalized gapless state and conducts opposite spins in opposite directions, thus providing a perfect spin filter. The transition is driven by magnetic field and by spin-orbit interactions. As an example we show for semiconducting quantum w…
We combine high-resolution resonant inelastic x-ray scattering with cluster calculations utilizing a recently derived effective magnetic scattering operator to analyze the polarization, excitation energy, and momentum dependent excitation spectrum of the low-dimensional quantum magnet TiOCl in the range expected for orbital and magnetic excitations (0 - 2.5 eV). Ti 3d orbital excitations yield complete information on the temperature-dependent crystal-field splitting. In the spin-Peierls phase we observe a dispersive two-spinon excitation and estimate the inter- and intra-dimer magnetic exchang…
We present a Monte Carlo study of the finite temperature properties of an extended Hubbard-Peierls model describing one dimensional $π$-conjugated polymers. The model incorporates electron-phonon and hyperfine interaction and it is solved at the mean field level for half filling. In particular we explore the model as a function of the strength of electron-electron and electron-phonon interactions. At low temperature the system presents a diamagnetic to antiferromagnetic transition as the electron-electron interaction strength increases. At the same time by increasing the electron-phonon coupli…
We study the formation of antiferromagnetic correlations induced by impurity doping in anisotropic two-dimensional spin-Peierls systems. Using a mean-field approximation to deal with the inter-chain magnetic coupling, the intra-chain correlations are treated exactly by numerical techniques. The magnetic coupling between impurities is computed for both adiabatic and dynamical lattices and is shown to have an alternating sign as a function of the impurity-impurity distance, hence suppressing magnetic frustration. An effective model based on our numerical results supports the coexistence of antif…
The data on the dispersion of the magnetic excitations of CuGeO_3 in the spin-Peierls dimerized phase are analyzed. On the basis of the lattice structure it is shown that even along the chains the $d=2$ character cannot be neglected. The symmetry of the dispersion differs from the one assumed so far. The magnetic resonance data is reinterpreted. The possibility of interchain rather than intrachain frustration is discussed.
Lattice modulations in the high magnetic field phase and close to impurities in spin-Peierls systems are considered and compared to experiment. Necessary extensions of existing theories are proposed. The influence of zero-point fluctuations on magnetic amplitudes is shown.
We investigated the magnetic and structural properties of the quasi-one dimensional 3$d^1$-quantum chain system TiPO$_4$ ($J \sim$ 965 K) by magnetic susceptibility, heat capacity, ESR, x-ray diffraction, NMR measurements, and by density functional calculations. TiPO$_4$ undergoes two magnetostructural phase transitions, one at 111 K and the other at 74 K. Below 74 K, NMR detects two different $^{31}$P signals and the magnetic susceptibility vanishes, while DFT calculations evidence a bond alternation of the Ti...Ti distances within each chain. Thus, the 74 K phase transition is a spin-Peierls…
The magnetic field-induced 3D ordered phase of the two-leg spin-ladder Cu2(C5N2H12)2Cl4 has been probed through measurements of 1H NMR spectra and 1/T1 in the temperature range 70~mK - 1.2 K. The second order transition line Tc(H) has been determined between Hc1 = 7.52 T and Hc2 = 13 T and varies as (H-Hc1)^(2/3) close to Hc1. From the observation of anomalous shifts and a crossover in 1/T1 above Tc, the mechanism of the 3D transition is argued to be magnetoelastic, involving a displacement of the protons along the longitudinal exchange (J//) path.
The nature of the phase transitions in La$_{1-x}$Ca$_x$MnO$_3$ and Pr$_{0.48}$Ca$_{0.52}$MnO$_3$ has been probed using heat capacity and magnetisation measurements. The phase transition associated with the onset of the stripe phase has been identified as second order. The model of a Peierls transition in a disordered system (a `dirty' Peierls transition) is shown to provide an extremely good fit to this transition. In addition, an unexpected magnetic phase has been revealed in low temperature Pr$_{0.48}$Ca$_{0.52}$MnO$_3$, associated with an excess heat capacity over a wide temperature range c…
We investigate magnetic properties of an $S$=1/2 quasi-one dimensional organic antiferromagnet, D-F$_{5}$PNN using magnetization measurements taken at temperatures as low as 0.5 K. Three distinct phases were observed consisting of uniform, dimerized (D), and incommensurate (I) spin structures in the magnetic field versus temperature plane, where a significant hysteresis appears between D-I transitions in the field scan measurements. A combination of magnon ($S$=1) and soliton ($S$=1/2) excitations have successfully reproduced the observed magnetic susceptibility. In addition, such excitations …
Influence of doping by iron impurity on spin-Peierls state in CuGeO3 is studied. ESR measurements for the frequency/temperature domain 60-450 GHz/ 1.8-300 K and specific heat data obtained for the interval 6-20 K show that insertion of 1% of Fe completely destroy both spin-Peierls and antiferromagnetic orders. Damping of long-range magnetic order is accompanied by onset at T<20 K of power asymptotics for magnetic susceptibility chi~T^-alpha and magnetic part of specific heat cm~T^(1-alpha), with the index alpha=0.35-0.37. This effect is characteristic to the limit of strong disorder for doped …
We study the magnetic properties of a frustrated Heisenberg spin chain with a dynamic spin-phonon interaction. By Lanczos diagonalization, preserving the full lattice dynamics, we explore the non-adiabatic regime with phonon frequencies comparable to the exchange coupling energy which is e.g. the relevant limit for the spin-Peierls compound $CuGeO_3$. When compared to the static limit of an alternating spin chain the magnetic properties are strongly renormalized due to the coupled dynamics of spin and lattice degrees of freedom. The magnitude of the spin triplet excitation gap changes from a s…
We report an investigation of charge, spin and lattice effects in the spin-Peierls state of the organic compound MEM(TCNQ)$_2$. The 16.5 GHz dielectric function along the chain axis shows an enhancement below the spin-Peierls transition temperature near 18 K consistent with the charge coupling to the elastic strain involved in the transition. The velocity of two elastic modes perpendicular to the chain axis presents anomalies at the transition which can be explained with a Landau free energy model including a linear-quadratic coupling energy term between the appropriate elastic strain $e$ and …
We report high-pressure x-ray diffraction and magnetization measurements combined with ab-initio calculations to demonstrate that the high-pressure optical and transport transitions recently reported in TiOCl, correspond in fact to an enhanced Ti3+-Ti3+ dimerization existing already at room temperature. Our results confirm the formation of a metal-metal bond between Ti3+ ions along the b-axis of TiOCl, accompanied by a strong reduction of the electronic gap. The evolution of the dimerization with pressure suggests a crossover from the spin-Peierls to a conventional Peierls situation at high pr…
ESR-study of the Ni-doped spin-Peierls compound CuGeO3 has been performed in the frequency range 9-75 GHz. At low temperatures the g-factor is smaller than the value expected for Cu- and Ni-ions. This anomaly is explained by the formation of magnetic clusters around the Ni-ions within a nonmagnetic spin-Peierls matrix. The transition into the AFM-state detected earlier by neutron scattering for doped samples was studied by means of ESR. For x=0.032 a gap in the magnetic resonance spectrum is found below the Neel temperature and the spectrum is well described by the theory of antiferromagnetic …
Peierls Transition and Magnetism in a Dirac Semimetal: CaMnBi$_2$
Brookhaven National Laboratory（布鲁克海文国家实验室）；Ames National Laboratory（埃姆斯国家实验室）；Iowa State University（爱荷华州立大学）；Oak Ridge National Laboratory（橡树岭国家实验室）；National Institute of Standards and Technology（美国国家标准与技术研究院）；Ruhr-University Bochum（波鸿鲁尔大学）
We have performed Electron Spin Resonance measurements on single crystals of the doped spin-Peierls compounds CuGe$_{1-y}$Si$_y$O$_3$ and Cu$_{1-x}$M$_x$GeO$_3$ with M = Zn, Mg, Ni ($x, y\leq 0.1$). The first part of our experiments was performed in the paramagnetic and spin-Peierls phases at 9.5, 95 and 190 GHz. All non-magnetic impurities (Si, Zn and Mg) were found to hardly affect the position and linewidth of the single line resonance, in spite of the moment formation due to the broken chains. In contrast to Si, Zn and Mg-doping, the presence of Ni (S = 1) at low concentration induces a sp…
We report comprehensive synchrotron x-ray scattering and magnetic susceptibility studies of the doped spin-Peierls materials Cu_{1-x}Zn_xGeO_3 and CuGe_{1-y}Si_yO_3. Temperature versus dopant concentration phase diagrams are mapped out for both Zn and Si dopants. The phase diagrams of both Cu_{1-x}Zn_xGeO_3 and CuGe_{1-y}Si_yO_3 closely resemble that of Cu_{1-x}Mg_xGeO_3, including the observation that the spin gap is established at a much higher temperature than the temperature at which the spin-Peierls dimerization attains long-range order. The spin-Peierls transitions in doped samples exhib…
The thermal conductivity of the Spin-Peierls (SP) compound CuGeO_3 was measured in magnetic fields up to 16 T. Above the SP transition, the heat transport due to spin excitations causes a peak at around 22 K, while below the transition the spin excitations rapidly diminish and the heat transport is dominated by phonons; however, the main scattering process of the phonons is with spin excitations, which demonstrates itself in an unusual peak in the thermal conductivity at about 5.5 K. This low-temperature peak is strongly suppressed with magnetic fields in excess of 12.5 T.
Interplay of Fermi surface topology and electron correlation is the quintessential ingredient underlying spontaneous symmetry breaking in itinerant electronic systems. In one-dimensional (1D) systems at half-filling, the inherent Fermi surface nesting makes the translationally invariant metallic state unstable, which is known as Peierls instability. Extending the scope of Peierls instability to two (2D) or three dimensions (3D), however, is not straightforward, since the Fermi surface in higher dimensions is generally not nested. In this work, we show that a perfectly nested Fermi surface can …
We revisit the problem of the spin-Peierls instability in a one dimensional spin-1/2 chain coupled to phonons. The phonons are treated within the mean field approximation. We use bosonization techniques to describe the gapped spin chain and then use the Thermodynamic Bethe Ansatz to obtain quantitative results for the thermodynamics of the spin-Peierls system in a whole range of temperature. This allows us to predict the behavior of the specific heat and the magnetic susceptibility in the entire dimerized phase. We study the effect of small magnetic fields on the transition. Moreover, we obtai…
We report on a detailed single crystal x-ray diffraction study of the unconventional spin-Peierls compound TiOCl. The intermediate phase of TiOCl is characterized by an incommensurate modulation which is virtually identical to that recently found in the homologue compound TiOBr. The first order phase transition between the spin-Peierls ground state and the incommensurate phase reveals the same kind of thermal hysteresis in both, its crystal structure and magnetic susceptibility. A weak, but significant magnetic field effect is found for this phase transition with a field induced shift of the t…
Pressure and temperature dependent susceptibility and Raman scattering experiments on single crystalline Cu_xZn_(1-x)GeO_3 have shown an unusually strong increase of the spin-Peierls phase transition temperature upon applying hydrostatic pressure. The large positive pressure coefficient (7.5 K/GPa) - almost twice as large as for the pure compound (4.5 K/GPa) - is interpreted as arising due to an increasing magnetic frustration which decreases the spin-spin correlation length, and thereby weakens the influence of the non-magnetic Zn-substitution.
We report on the magnetic susceptibility and electron spin resonance measurements on polycrystalline samples of the vanadium oxide VOSb$_{2}$O$_{4}$, a quasi-one dimensional S=1/2 Heisenberg system. We show that the susceptibility vanishes at zero temperature, as in a gapped system, and we argue that this is due to a spin-Peierls transition with strong structural fluctuations.
In a magnetic substance the gap in the Raman spectrum, Delta_R, is approximatively twice the value of the neutron scattering gap, Delta_S, if the the magnetic excitations (magnons) are only weakly interacting. But for CuGeO_3 the experimentally observed ratio Delta_R/Delta_S is approximatively 1.49-1.78, indicating attractive magnon-magnon interactions in the quasi-1D Spin-Peierls compound CuGe_3. We present numerical estimates for Delta_R/Delta_S from exact diagonalization studies for finite chains and find agreement with experiment for intermediate values of the frustration parameter alpha. …
