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 the field is almost in the plane of the ring. These predictions are shown to compare remarkably well with available torque and Nuclear Magnetic Resonance data on CsFe8.
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 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.
Three-dimensional (3D) variants of the Kitaev model can harbor gapless spin liquids with a Majorana Fermi surface on certain tricoordinated lattice structures such as the recently introduced hyperoctagon lattice. Here we investigate Fermi surface instabilities arising from additional spin exchange terms (such as a Heisenberg coupling) which introduce interactions between the emergent Majorana fermion degrees of freedom. We show that independent of the sign and structure of the interactions, the Majorana surface is always unstable. Generically the system spontaneously doubles its unit cell at e…
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
In this paper we study Peierls instabilities for a half-filled two-dimensional tight-binding model with nearest-neighbour hopping $t$ and next nearest-neighbour hopping $t'$ at zero and finite temperatures. Two dimerization patterns corresponding to the same phonon vector $(π, π)$ are considered to be realizations of Peierls states. The effect of imperfect nesting introduced by $t'$ on the Peierls instability, the properties of the dimerized ground state, as well as the competition between two dimerized states for each $t'$ and temperature $T$, are investigated. It is found: (i). The Peierls i…
We discovered a first-order phase transition between dimerized-antiferromagnetic and uniform-antiferromagnetic phases in impurity-doped spin-Peierls (SP) cuprate Cu{1-x}MgxGeO3. As impurity concentration increases, linear reduction of SP transition temperature (T{SP}) and linear increase of Neel temperature (TN) are observed up to x = 0.023. At this critical concentration (xc) SP transition suddenly disappears and TN jumps discontinuously. The peak of the susceptibility at xc around TN is not so sharp as those at other concentrations, which indicates the phase separation of low and high concen…
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 address the problem of antiferromagnetism in a two dimensional model of doped spin-Peierls system, at the classical and quantum levels. A Bethe-Peierls solution is derived for the classical model, with an ordering temperature proportional to the doping concentration. The quantum model is treated in a cluster renormalization group showing a finite randomness behavior and an antiferromagnetic susceptibility at low temperature.
Comprehensive neutron scattering studies were carried out on a series of high-quality single crystals of Cu_{1-x}Zn_xGeO_3. The Zn concentration, x, was determined for each sample using Electron Probe Micro-Analysis. The measured Zn concentrations were found to be 40-80% lower than the nominal values. Nevertheless the measured concentrations cover a wide range which enables a systematic study of the effects due to Zn-doping. We have confirmed the coexistence of spin-Peierls (SP) and antiferromagnetic (AF) orderings at low temperatures and the measured phase diagram is presented. Most surprisin…
Charge and spin-Peierls instabilities in quarter-filled (n=1/2) compounds consisting of coupled ladders and/or zig-zag chains are investigated. Hubbard and t-J models including local Holstein and/or Peierls couplings to the lattice are studied by numerical techniques. Next nearest neighbor hopping and magnetic exchange, and short-range Coulomb interactions are also considered. We show that, generically, these systems undergo instabilities towards the formation of Charge Density Waves, Bond Order Waves and (generalized) spin-Peierls modulated structures. Moderate electron-electron and electron-…
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 …
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…
We show that the introduction of frustration into the spin-1/2 two-dimensional (2D) antiferromagnetic Heisenberg model on a square lattice via a next-nearest neighbor exchange interaction can lead to a Peierls-like transition, from a tetragonal to an orthorhombic phase, when the spins are coupled to adiabatic phonons. The two different orthorhombic ground states define an Ising order parameter, which is expected to lead to a finite temperature transition. Implications for ${\rm Li_2VOSiO_4}$, the first realization of that model, will be discussed.
The nature of the attractive electron-electron interaction, leading to the formation of Cooper-pairs in unconventional superconductors has still to be fully understood and is subject to intensive research. Here we show that the sequence spin-Peierls, antiferromagnetism, superconductivity observed in (TMTTF)_2PF_6 under pressure makes the (TM)_2X phase diagram universal. We argue that the suppression of the spin-Peierls transition under pressure, the close vicinity of antiferromagnetic and superconducting phases at high pressure as well as the existence of critical antiferromagnetic fluctuation…
Effects of disorder and external field on the competing spin-Peierls and antiferromagnetic states are studied theoretically in terms of the numerical transfer matrix method applied to a quasi one-dimensional spin 1/2 Heisenberg model coupled to the lattice degree of freedom. We show that, at temperatures above the impurity-induced antiferromagnetic phase, inhomogeneous spin-Peierls lattice distortions remain to exist showing a re-entrant behavior. This feature can be drastically altered by very weak perturbations, e.g., the staggered magnetic field or the change in interchain exchange coupling…
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…
A model of disordered spin-Peierls system is considered, where domain walls are randomly distributed as a telegraph noise. For this realization of the disorder in an XX spin chain, we calculate exactly the density of states as well as several thermodynamic quantities. The resulting physical behavior should be qualitatively unchanged even for an XXZ chain, up to the isotropic XXX point. For weak disorder, besides a high energy regime where the behavior of a pure spin-Peierls system is recovered, there is a cross-over to a low energy regime with singular thermodynamic properties and enhanced ant…
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 …
In view of recent developments in the investigation on cuprate high-T${}_{\rm c}$ superconductors and the spin-Peierls compound CuGeO${}_{3}$, we study the effect of dilute impurity doping on the spin-Peierls state in quasi-one dimensional systems. We identify a common origin for the emergence of antiferromagnetic order upon the introduction of static vacancies, and superconductivity for mobile holes.
"Metallic" carbon nanotubes exhibit quasiparticle gaps when isolated from a screening environment. The gap-opening mechanism is expected to be of electronic origin, but the precise nature is debated. In this work, we show that hybrid density functional theory predicts a set of excitonic instabilities capable of opening gaps of the size found in experiment. The excitonic instabilities are coupled to vibrational modes and, in particular, the modes associated with the ${\bf Γ}-E_{2g}$ and ${\bf K}-A'_1$ Kohn anomalies of graphene, inducing Peierls lattice distortions with a strong electron-phonon…
The behavior of three-dimensional (3D) semimetals under strong magnetic fields is a topic of recurring interest in condensed matter physics. Recently, the advent of Weyl and Dirac semimetals has brought about an interesting platform for potentially uncovering phases of matter that combine nontrivial band topology and interactions. While electronic instabilities of such semimetals at strong magnetic fields have been explored theoretically and experimentally, the role of electron-phonon interactions therein has been largely neglected. In this paper, we study the interplay of electron-electron an…
Stabilization of the Si(553) surface by Au adsorption results in two different atomically defined chain types, one of Au atoms and one of Si. At low temperature these chains develop two- and threefold periodicity, respectively, previously attributed to Peierls instabilities. Here we report evidence from scanning tunneling microscopy that rules out this interpretation. The x3 superstructure of the Si chains vanishes for low tunneling bias, i.e., close the Fermi level. In addition, the Au chains remain metallic despite their period doubling. Both observations are inconsistent with a Peierls mech…
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 …
Dynamical properties of the novel inorganic spin-Peierls compound α'--NaV2O5 are investigated using a one-dimensional dimerized Heisenberg model. By exact diagonalizations of chains with up to 28 sites, supplemented by a finite-size scaling analysis, the dimerization parameter δis determined by requiring that the model reproduces the experimentally observed spin gap Δ. The dynamical and static spin structure factors are calculated. As for CuGeO3, the existence of a low energy magnon branch separated from the continuum is predicted. The present calculations also suggest that a large magnetic Ra…
It has been suggested that the metal-insulator transitions in a number of spinel materials with partially-filled t_2g d-orbitals can be explained as orbitally-driven Peierls instabilities. Motivated by these suggestions, we examine theoretically the possibility of formation of such orbitally-driven states within a simplified theoretical model, a two-dimensional checkerboard lattice with two directional metal orbitals per atomic site. We include orbital ordering and inter-atom electron-phonon interactions self-consistently within a semi-classical approximation, and onsite intra- and inter-orbit…
The present understanding of the electronic and magnetic properties of $α'$-NaV$_2$O$_5$ is based on the hypothesis of strong charge disproportionation into V$^{4+}$ and V$^{5+}$, which is assumed to lead to a spin-1/2 Heisenberg chain system. A recent structure analysis shows, however, that the V-ions are in a mixed valence state and indistiguishable. We propose an explanation for the insulating state, which is not based on charge modulation, and show that strong correlations together with the Heitler-London character of the relevant intermediate states naturally lead to antiferromagnetic Hei…
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…
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…
CuSiO_3, isotypic to the spin - Peierls compound CuGeO_3, was discovered recently as a metastable decomposition product of the silicate mineral dioptase, Cu_6Si_6O_{18}\cdot6H_2O. We investigated the physical properties of CuSiO_3 using susceptibility, magnetization and specific heat measurements on powder samples. The magnetic susceptibility χ(T) is reproduced very well above T = 8 K by theoretical calculations for an S=1/2 antiferromagnetic Heisenberg linear chain without frustration (α= 0) and a nearest - neighbor exchange coupling constant of J/k_{B} = 21 K, much weaker than in CuGeO_3. Be…
Using {\it ab initio} density functional theory and single-orbital Hubbard model calculations via the density matrix renormalization group method, we systematically studied the monolayer VOI$_2$ with a $3d^1$ electronic configuration. Our phonon calculations indicate that the orthorhombic $Pmm2$ FE-II phase is the most likely ground state, involving a ferroelectric distortion along the $a$-axis and V-V dimerization along the $b$-axis. Specifically, the "pseudo Jahn-Teller" effect caused by the coupling between empty V ($d_{xz/yz}$ and $d_{3z^2-r^2}$) and O $2p$ states is proposed as the mechan…
Quasi-one-dimensional antiferromagnetic (AF) quantum spin systems show a wide range of interesting phenomena such as the spin-Peierls transition and disorder driven long range ordering. While there is no magnetic long range order in strictly one-dimensional systems, in real systems some amount of interchain coupling is always present and AF long range order may appear below a Neel ordering temperature T_N. We study the effect of bond randomness on Neel ordering in weakly coupled random AF S=1/2 chains both with and without dimerization (or spin-Peierls order). We use the real space renormaliza…
The site- and bond-dilution effects of the nonmagnetic ground state of a two-dimensional $S=1/2$ antiferromagnetic Heisenberg model, coupled with the lattice distortions on a square lattice, are investigated by performing quantum Monte Carlo simulations. In the nondiluted system, a phase diagram parameterized by the interchain interaction and the elastic constant is obtained, and the values of the lattice distortions in the dimerized phase are evaluated precisely. In the diluted system, we compare two ground-state energies assuming two patterns of lattice distortions with magnetic moments (eff…
Ultrasound velocity measurements of the orbitally-frustrated GeCo$_2$O$_4$ reveal unusual elastic instabilities due to the phonon-spin coupling within the antiferromagnetic phase. Shear moduli exhibit anomalies arising from the coupling to short-range ferromagnetic excitations. Diplike anomalies in the magnetic-field dependence of elastic moduli reveal magnetic-field-induced orbital order-order transitions. These results strongly suggest the presence of geometrical orbital frustration which causes novel orbital phenomena within the antiferromagnetic phase.
We study a model of a Spin-Peierls material consisting of a set of antiferromagnetic Heisenberg chains coupled with phonons and interacting among them via an inter-chain elastic coupling. The excitation spectrum is analyzed by bosonization techniques and the self-harmonic approximation. The elementary excitation is the creation of a localized domain structure where the dimerized order is the opposite to the one of the surroundings. It is a triplet excitation whose formation energy is smaller than the magnon gap. Magnetic internal excitations of the domain are possible and give the further exci…
In the s = 1/2 antiferromagnetic spin chain material TiPO4 the formation of a spin gap takes place in a two step process with two characteristic temperatures, T*=111 K and TSP=74 K. We observe an unusual lattice dynamics over a large temperature regime as well as evidence for an orbital instability preceding the spin-Peierls transition. We relate different intrachain exchange interactions of the high temperature compared to the spin-Peierls phase to a modification of the orbital ordering pattern. In particular, our observation of a high energy excitation of mixed electronic and lattice origin …
The results of IR-studies in quasi-1D carbynoid films produced by dehydrohalogenation of poly(vinilidene fluoride) are in good agreement with the assumption that carbynoid films studied are generalized spin -Peierls conductors, the metal to insulator transition in which can be described in the frame of t-J model. Residual atoms of fluorine, hydrogen and atoms of main technological impurity oxygen in the form of various complexes in interchain space are suggested to be spin - (or joint spin - and electrical) conductivity dopants. Antiferroelectric spin wave resonance (AFESWR) being to be optica…
We investigate the real-time dynamics of photoexcited electronic instabilities in a charge-transfer system model, using the time-dependent density matrix renormalization group method. The model of choice was the quarter-filled one-dimensional extended Peierls-Hubbard Hamiltonian interacting with classical few-cycle electromagnetic radiation. The results show that only one electronic instability drives the main features of the photogenerated time-dependent behavior. Indeed, the photoresponse of the system shows a large enhancement of the $4k_F$ (bond and charge) instability whereas the $2k_F$ s…
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…
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…
We consider the ground state and the elementary excitations of an array of spin-Peierls chains coupled by elastic and magnetic interactions. It is expected that the effect of the magnetic interchain coupling will be to reduce the dimerization amplitude and that of the elastic coupling will be to confine the spin one-half solitons corresponding to each isolated chain. We show that this is the case when these interactions are not frustrated. On the other hand, in the frustrated case we show that the amplitude of dimerization in the ground state is independent of the strength of the interchain ma…
The spin-$1/2$ chain with antiferromagnetic exchange $J_1$ and $J_2 = αJ_1$ between first and second neighbors, respectively, has both gapless and gapped ($Δ(α) > 0$) quantum phases at frustration $0 \le α\le 3/4$. The ground state instability of regular ($δ= 0$) chains to dimerization ($δ> 0$) drives a spin-Peierls transition at $T_{SP}(α)$ that varies with $α$ in these strongly correlated systems. The thermodynamic limit of correlated states is obtained by exact treatment of short chains followed by density matrix renormalization calculations of progressively longer chains. The doubly degene…
It is known that within the interacting electron model Hamiltonian for the one-dimensional 1/4-filled band, the singlet ground state is a Wigner crystal only if the nearest neighbor electron-electron repulsion is larger than a critical value. We show that this critical nearest neighbor Coulomb interaction is different for each spin subspace, with the critical value decreasing with increasing spin. As a consequence, with the lowering of temperature, there can occur a transition from a Wigner crystal charge-ordered state to a spin-Peierls state that is a Bond-Charge-Density Wave with charge occu…
The effect of in-chain and off-chain substitutions on 1D spin fluctuations in the spin-Peierls compound CuGeO_3 has been studied using Raman scattering in order to understand the interplay between defect induced states, enhanced spin-spin correlations and the ground state of low dimensional systems. In-chain and off-chain substitutions quench the spin-Peierls state and induce 3D antiferromagnetic order at T\leq 5 K. Consequently a suppression of a 1D gap-induced mode as well as a constant intensity of a spinon continuum are observed at low temperatures. A 3D two-magnon density of states now gr…
Measurements of magnetic susceptibility, heat capacity and thermal expansion are reported for single crystalline CuSb$_{2}$O$_{6}$ in the temperature range $5<T<350$ K. The magnetic susceptibility exhibits a broad peak centered near 60 K that is typical of one-dimensional antiferromagnetic compounds. Long-range antiferromagnetic order at $T_N$ = 8.7 K is accompanied by an energy gap ($Δ$ = 17.48(6) K). This transition represents a crossover from one- to three-dimensional antiferromagnetic behavior. Both heat capacity and the thermal expansion coefficients exhibit distinct jumps at $T_N$, which…
The zero and finite temperature spin-Peierls transitions in a quasi-one-dimensional spin-1/2 Heisenberg model coupled to adiabatic bond phonons is investigated using the Stochastic Series Expansion (SSE) Quantum Monte Carlo (QMC) method. The quantum phase transition from a gapless Neel state to a spin-gapped Peierls state is studied in the parameter space spanned by spatial anisotropy, inter-chain coupling strength and spin-lattice coupling strength. It is found that for any finite inter-chain coupling, the transition to a dimerized Peierls ground state only occurs when the spin-lattice coupli…
We analyze the time evolution of a magnetic excitation in a spin-1/2 antiferromagnetic Heisenberg chain after a quantum quench. By a proper modulation of the magnetic exchange coupling, we prepare a static soliton of total spin 1/2 as an initial spin state. Using bosonization and a numerical time dependent density matrix renormalization group algorithm, we show that the initial excitation evolves to a state composed of two counter-propagating chiral states, which interfere to yield <S^z> = 1/4 for each mode. We find that these dynamically generated states remain considerably stable as time evo…
We study weakly coupled antiferromagnetic spin chains in their ordered phase by combinining an exact solution of the single-chain problem with an RPA analysis of the interchain interaction. A single chain is described by a quantum Sine-Gordon model and dynamical staggered susceptibilities are determined by employing the formfactor approach to quantum correlation functions. We consider both antiferromagnetic order encountered in quasi-1D materials like $KCuF_3$ and spin-Peierls order as found in $CuGeO_3$.
We study phase transitions in heavy fermion systems due to spin-wave instabilities. One motivation is to determine the changes in the spin-wave parameters of a magnetically ordered heavy fermion system as it approaches a quantum critical point (QCP) by applying pressure. The other more actual is to provide an alternative approach, based on spin-wave instabilities, for the magnetic field induced transitions recently observed in antiferromagnetic heavy fermion materials.
A molecular Mott insulator $κ$-(ET)$_2$B(CN)$_4$ [ET = bis(ethylenedithio)tetrathiafulvalene] with a distorted triangular lattice exhibits a quantum disordered state with gapped spin excitation in the ground state. $^{13}$C nuclear magnetic resonance, magnetization, and magnetic torque measurements reveal that magnetic field suppresses valence bond order and induces long-range magnetic order above a critical field $\sim 8$ T. The nuclear spin-lattice relaxation rate $1/T_1$ shows persistent evolution of antiferromagnetic correlation above the transition temperature, highlighting a quantum spin…
We use exact diagonalization combined with mean-field theory to investigate the phase diagram of the spin-orbital model for cubic vanadates. The spin-orbit coupling competes with Hund's exchange and triggers a novel phase, with the ordering of $t_{2g}$ orbital magnetic moments stabilized by the tilting of VO$_6$ octahedra. It explains qualitatively spin canting and reduction of magnetization observed in YVO$_3$. At finite temperature an orbital Peierls instability in the $C$-type antiferromagnetic phase induces modulation of magnetic exchange constants even in absence of lattice distortions. T…
The spin$-1/2$ chain with ferromagnetic exchange $J_1 < 0$ between first neighbors and antiferromagnetic $J_2 > 0$ between second neighbors supports two spin-Peierls (SP) instabilities depending on the frustration $α= J_2/\vert J_1\vert$. Instead of chain dimerization with two spins per unit cell, $J_1-J_2$ models with $α> 0.65$ and linear spin-phonon coupling are unconditionally unstable to sublattice dimerization with four spins per unit cell. Unequal $J_1$ to neighbors to the right and left extends the model to gapped ($γ> 0$) chains with conditional SP transitions at $T_{SP}$ to dimerized …
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 $J_2 = αJ_1$ between first and second neighbors, respectively, and variable frustration $0 \leq α\leq 0.50$. 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 …
We consider the Hubbard-Holstein model in the adiabatic limit to investigate the effects of electron-electron interactions on the electron-phonon coupling. To this aim we compute at any momentum and filling the static charge susceptibility of the Hubbard model within the Gutzwiller approximation and we find that electron-electron correlations effectively screen the electron coupling to the lattice. This screening is more effective at large momenta and, as a consequence, the charge-density wave phase due to the usual Peierls instability of the Fermi surface momenta is replaced by a phase-separa…
A Hubbard model at half-filling on an anisotropic triangular lattice has been proposed as the minimal model to describe conducting layers of $κ-(BEDT-TTF)_2X$ organic materials. The model interpolates between the square lattice and decoupled chains. The $κ-(BEDT-TTF)_2X$ materials present many similarities with cuprates, such as the presence of unconventional metallic properties and the close proximity of superconducting and antiferromagnetic phases. As in the cuprates, spin fluctuations are expected to play a crucial role in the onset of superconductivity. We perform a weak-coupling renormali…
We examine trends in the wavevectors and form-factors of charge density wave instabilities of three-band models of the underdoped cuprates. For instabilities from a high temperature state with a large Fermi surface, we extend a study by Bulut et al. (arXiv:1305.3301) to include a direct antiferromagnetic exchange coupling between the Cu sites. As in previous work, we invariably find that the primary instability has a diagonal wavevector $(\pm Q_0, \pm Q_0)$ and a $d$-form factor. The experimentally observed wavevectors along the principal axes $(\pm Q_0,0)$, $(0, \pm Q_0)$ have higher energy, …
A spin and phonon excitations spectrum are studied using quantum Monte Carlo method in antiferromagnetic chain with spins $S=1/2$ coupled nonadiabaticity with acoustic phonons . It is found the critical coupling exists to open gap in the triplet excitation spectrum for any phonon velocity. The phase boundaries of delocalized phonons and propagated the bound states of magnon and a phonon are calculated. It is shown that the spherical symmetry of the spin-spin correlation functions is broken . The magnetic and optical properties $CuGeO_3$ are explained without using spin-Peierls transition.
