The study of impurities in antiferromagnets is of considerable interest in condensed matter physics. In this paper we address the elementary question of the effect of vacancies on the orientation of the surrounding magnetic moments in an antiferromagnet. In the presence of a magnetic field, alternating magnetic moments are induced, which can be described by a universal expression that is valid in any ordered antiferromagnet and turns out to be independent of temperature over a large range. The universality is not destroyed by quantum fluctuation, which is demonstrated by quantum Monte Carlo simulations in the two-dimensional Heisenberg antiferromagnet. Physical predictions for finite doping are made, which are relevant for experiments probing Knight shifts and the order parameter.
Doping the high-Tc superconductor YBa2Cu3O6.7 with 1.5 % of non-magnetic Zn impurities in CuO2 planes is shown to produce a considerable broadening of 63Cu NMR spectra, as well as an increase of low-energy magnetic fluctuations detected in 63Cu spin-lattice relaxation measurements. A model-independent analysis demonstrates that these effects are due to the development of staggered magnetic moments on many Cu sites around each Zn and that the Zn-induced moment in the bulk susceptibility might be explained by this staggered magnetization. Several implications of these enhanced antiferromagnetic …
It has been recently pointed out that the presence of a nonmagnetic impurity in a Heisenberg antiferromagnet generates an alternating order of the surrounding spins which is independent of temperature in a wide range. Quantum Monte Carlo simulations in the two-dimensional $S=1/2$ case confirmed this picture, but showed a counterintuitive enhancement of the alternating order around the Kosterlitz-Thouless transition. We propose here an explanation in terms of the effect of vortex excitations.
Recent scanning tunnelling microscopy (STM) experiments on underdoped cuprates have displayed modulations in the local electronic density of states which are centered on a Cu-O-Cu bond (Kohsaka et. al., cond-mat/0703309). As a paradigm of the pinning of such bond-centered ordering in strongly correlated systems, we present the theory of valence bond solid (VBS) correlations near a single impurity in a square lattice antiferromagnet. The antiferromagnet is assumed to be in the vicinity of a quantum transition from a magnetically ordered Neel state to a spin-gap state with long-range VBS order. …
We investigate magnetic properties of lightly doped antiferromagnetic Mott insulators in the presence of non-magnetic impurities. Within the framework of the t-J model we calculate the doping dependence of the antiferromagnetic order parameter using the self-consistent diagrammatic techniques. We show that in the presence of non-magnetic impurities the antiferromagnetic order is more robust against hole doping in comparison with the impurity-free host, implying that magnetic order can re-appear upon Zn doping into lightly hole-doped cuprates. We argue that this is primarily due to the loss of …
For the weakly coupled S=1 antiferromagnetic Heisenberg chains on a simple cubic lattice, the effects of magnetic impurities are investigated by the quantum Monte Carlo method with the continuous-time loop algorithm. The transition temperatures of the impurity-induced phase transitions for magnetic impurities with S=1/2, 3/2, and 2 are determined and compared with the transition temperature induced by the non-magnetic impurities. Implications on the experimental results are discussed.
Motivated by recent experiments on ZnCu$_3$(OH)$_6$Cl$_2$, we study the inhomogeneous Knight shifts (local susceptibilities) of spin 1/2 Kagome antiferromagnet in the presence of nonmagnetic impurities. Using high temperature series expansion, we calculate the local susceptibility and its histogram down to about T=0.4J. At low temperatures, we explore a Dirac spin liquid proposal and calculate the local susceptibility in the mean field and beyond mean field using Gutzwiller projection, finding the overall picture to be consistent with the NMR experiments.
We study the influence of disorder and randomly distributed impurities on the properties of correlated antiferromagnets. To this end the Hubbard model with (i) random potentials, (ii) random hopping elements, and (iii) randomly distributed values of interaction is treated using quantum Monte Carlo and dynamical mean-field theory. In cases (i) and (iii) weak disorder can lead to an enhancement of antiferromagnetic (AF) order: in case (i) by a disorder-induced delocalization, in case (iii) by binding of free carriers at the impurities. For strong disorder or large impurity concentration antiferr…
We are considering the interplay between several non-magnetic impurities in the spin-1/2 Heisenberg antiferromagnet in chains, ladders and planes by introducing static vacancies in numerical quantum Monte Carlo simulations. The effective potential between two and more impurities is accurately determined, which gives a direct measure of the quantum correlations in the systems. Large effective interaction potentials are an indication of strong quantum correlations in the system and reflect the detailed nature of the valence bond ground states. In two-dimensions (2D) the interactions are smaller,…
Controlled doping of SrCu$_2$(BO$_3$)$_2$, a faithful realization of the Heisenberg spin-1/2 antiferromagnet on the Shastry-Sutherland lattice, with non-magnetic impurities generates bound-states below the spin gap. These bound-states and their symmetry properties are investigated by exact diagonalisation of small clusters and within a simple effective model describing a spinon submitted to an attractive extended potential. It is shown that Raman spectroscopy is a unique technique to probe these bound-states. Quantitative theoretical Raman spectra are numerically obtained.
The effect of nonmagnetic impurities on the phase diagram of the classical Heisenberg antiferromagnet on a triangular lattice is investigated. We present analytical arguments confirmed by numerical calculations that at zero temperature vacancies stabilize a conical state providing an example of "order by quenched disorder" effect. Competition between thermal fluctuations and the site disorder leads to a complicated H-T phase diagram, which is deduced from the classical Monte Carlo simulations for a representative vacancy concentration. For the XY triangular-lattice antiferromagnet with in-plan…
We study the textures of generalized "charge densities" (scalar objects invariant under time reversal), in the vicinity of non-magnetic impurities in square-lattice quantum anti-ferromagnets, by order parameter field theories. Our central finding is the structure of the "vortex" in the generalized density wave order parameter centered at the non-magnetic impurity. Using exact numerical data from quantum Monte Carlo simulations on an antiferromagnetic spin model, we are able to verify the results of our field theoretic study. We extend our phenomenological approach to the period-4 bond-centered…
The study of impurities in low dimensional antiferromagnets has been a very active field in magnetism ever since the discovery of high temperature superconductivity. One of the most dramatic effects is the appearance of large Knight shifts in a long range around non-magnetic impurities in an antiferromagnetic background. The dependence of the Knight shifts on distance and temperature visualizes the correlations in the system. In this work we present the results for Knight shifts around a single vacancy in the one and two dimensional Heisenberg model.
We consider the two-dimensional (2D) quantum Heisenberg antiferromagnet at zero temperature with two types of locally frustrating perturbations - an isolated ferromagnetic bond (FMB) and a quantum impurity spin, coupled symmetrically to the two sublattices. An analytic technique is developed to study strong defect-environment interaction. In the case of a FMB we find that, contrary to the previous linear spin-wave result, the local magnetization stays finite even for strong frustration. For an antiferromagnetic coupling of a quantum impurity spin with its environment, we find a local ground st…
We consider a two-dimensional Heisenberg antiferromagnet on a square lattice with weakly coupled impurities, i.e. additional spins interacting with the host magnet by a small dimensionless coupling constant g<<1. Using linear spin-wave theory, we find that the magnetization disturbance at distance r from a single impurity behaves as g/r for 1<<r<<1/g and as 1/(gr^3) for r>>1/g. Surprisingly the disturbance is inversely proportional to the coupling constant! The interaction between two impurities separated by a distance r is proportional to g^2/r for 1<<r<<1/g and to 1/r^3 for r>>1/g. Hence at …
The two-dimensional Hubbard model with a bimodal distribution of on-site interactions, P(U_i) = (1-f)δ(U_i-U) + fδ(U_i), is studied using a finite temperature quantum Monte Carlo technique and dynamical mean-field theory. We find long range antiferromagnetic order off half-filling is stabilized by the disorder, due to localization of the dopants on the U=0 sites. Whereas in the clean model there is a single gap at n=1, for nonzero f we find the compressibility and density of states exhibit gaps at two separate fillings.
A formalism is developed to treat magnetic impurities in a Mott-Hubbard antiferromagnetic insulator within a representation involving multiple orbitals per site. Impurity scattering of magnons is found to be strong when the number of orbitals N' on impurity sites is different from the number N on host sites. The impurity-scattering-induced softening of magnon modes leads to enhancement in thermal excitation of magnons, and hence to a lowering of the Neel temperature in layered or three dimensional systems. Weak impurity scattering of magnons is obtained in the case N'=N, where the impurity is …
Heavy fermion systems, and other strongly correlated electron materials, often exhibit a competition between antiferromagnetic (AF) and singlet ground states. Using exact Quantum Monte Carlo (QMC) simulations, we examine the effect of impurities in the vicinity of such AF- singlet quantum critical points, through an appropriately defined impurity susceptibility, $χ_{imp}$. Our key finding is a connection, within a single calculational framework, between AF domains induced on the singlet side of the transition, and the behavior of the nuclear magnetic resonance (NMR) relaxation rate $1/T_1$. We…
We study the zero-bandwidth limit of the two-impurity Anderson model in an antiferromagnetic (AF) metal. We calculate, for different values of the model parameters, the lowest excitation energy, the magnetic correlation $<\mathbf{S}_{1}\mathbf{S}_{2}>$ between the impurities, and the magnetic moment at each impurity site, as a function of the distance between the impurities and the temperature. At zero temperature, in the region of parameters corresponding to the Kondo regime of the impurities, we observe an interesting competition between the AF gap and the Kondo physics of the two impurities…
A theory of the local magnetic response of a nonmagnetic impurity in a doped antiferromagnet, as relevant to the normal state in cuprates, is presented. It is based on the assumption of the overdamped collective mode in the bulk system and on the evidence, that equal-time spin correlations are only weakly renormalized in the vicinity of the impurity. The theory relates the Kondo-like behavior of the local susceptibility to the anomalous temperature dependence of the bulk magnetic susceptibility, where the observed increase of the Kondo temperature with doping reflects the crossover to the Ferm…
The two-dimensional quantum Heisenberg antiferromagnet at zero temperature with two kinds of locally frustrating defects - isolated ferromagnetic bonds and impurity spins, is studied. For a quantum spin, coupled antiferromagnetically to the two sublattices, we find a local ground state transition. In the case of a ferromagnetic bond, the local magnetization is found to remain finite even for strong coupling, contrary to previous results, derived within the linear spin-wave approximation. Our results are based on an analytic approach, suitable to treat strong defect-environment interaction, as …
We consider a magnetic impurity in two different S=1/2 Heisenberg bilayer antiferromagnets at their respective critical inter-layer couplings separating N'eel and disordered ground states. We calculate the impurity susceptibility using a quantum Monte Carlo method. With intra-layer couplings in only one of the layers (Kondo lattice), we observe an anomalous Curie constant C*, as predicted on the basis of field-theoretical work [S. Sachdev et al., Science 286, 2479 (1999)]. The value C*=0.262 +/- 0.002 is larger than the normal Curie constant C=S(S+1)/3. Our low-temperature results for the symm…
Is Herbertsmithite far from an ideal antiferromagnet? Ab-initio answer including in-plane Dzyaloshinskii-Moriya interactions and coupling with extra-plane impurities
We present the universal theory of arbitrary, localized impurities in a confining paramagnetic state of two-dimensional antiferromagnets with global SU(2) spin symmetry. The energy gap of the host antiferromagnet to spin-1 excitations, Δ, is assumed to be significantly smaller than a typical nearest neighbor exchange. In the absence of impurities, it was argued in earlier work (Chubukov et al. cond-mat/9304046) that the low-temperature quantum dynamics is universally and completely determined by the values of Δand a spin-wave velocity c. Here we establish the remarkable fact that no additional…
We have studied the static and dynamic properties of quasi-two-dimensional quantum antiferromagnets (AF) diluted with spinless impurities using spin-wave theory and $T$-matrix approximation. We show that the spectrum of a 2D AF at long wavelengths is overdamped at arbitrary concentration of spinless impurities. The scattering leads to a new length scale $\ell/a \sim e^{π/4x}$, $x$ being impurity concentration and $a$ the lattice spacing, beyond which the influence of impurities on the spectrum is dominant. Although the dynamical properties are significantly modified we show that 2D is not the …
We study effects of nonmagnetic impurities in a spin-1/2 frustrated triangular antiferromagnet with the aim of understanding the observed broadening of $^{13}$C NMR lines in the organic spin liquid material $κ$-(ET)$_2$Cu$_2$(CN)$_3$. For high temperatures down to $J/3$, we calculate local susceptibility near a nonmagnetic impurity and near a grain boundary for the nearest neighbor Heisenberg model in high temperature series expansion. We find that the local susceptibility decays to the uniform one in few lattice spacings, and for a low density of impurities we would not be able to explain the…
In conventional quasi-one-dimensional antiferromagnets with quantum spins, magnetic excitations are carried by either magnons or spinons in different energy regimes: they do not coexist independently, nor could they interact with each other. In this Letter, by combining inelastic neutron scattering, quantum Monte Carlo simulations and Random Phase Approximation calculations, we report the discovery and discuss the physics of the coexistence of magnons and spinons and their interactions in Botallackite-Cu2(OH)3Br. This is a unique quantum antiferromagnet consisting of alternating ferromagnetic …
The magnetic behaviors of a spin-1/2 alternating Heisenberg antiferromagnetic chain in a staggered transverse magnetic field is studied by means of the density-matrix renormalization group method and Jordan-Wigner transformation. Quantum phase transitions of different types are observed in the S=1 Neel and XY-like gapless phases, which result from the competitions between the staggered transverse field and magnetic orders induced by anisotropy and alternating interactions. The results are compared with the mean-field and some exactly resolved results.
The study of randomness in low-dimensional quantum antiferromagnets is at the forefront of research in the field of strongly correlated electron systems, yet there have been relatively few experimental model systems. Complementary neutron scattering and numerical experiments demonstrate that the spin-diluted Heisenberg antiferromagnet La2Cu(1-z)(Zn,Mg)zO4 is an excellent model material for square-lattice site percolation in the extreme quantum limit of spin one-half. Measurements of the ordered moment and spin correlations provide important quantitative information for tests of theories for th…
The effects of dilute Zn impurities on the uniform magnetic susceptibility are calculated in the normal metallic state for a model of the spin fluctuations of the layered cuprates. It is shown that scatterings from extended impurity potentials can lead to a coupling of the q~(pi,pi) and the q~0 components of the magnetic susceptibility chi(q). Within the presence of antiferromagnetic correlations, this coupling can enhance the uniform susceptibility. The implications of this result for the experimental data on Zn substituted YBa2Cu3O{7-delta} are discussed.
We investigate the properties of the coexistence phase of itinerant antiferromagnetism and nodal $d$-wave superconductivity (Q-phase) discovered in heavy fermion CeCoIn5 under applied magnetic field. We solve the minimal model that includes $d$-wave superconductivity and underlying magnetic correlations in real space to elucidate the structure of the $Q$-phase in the presence of an externally applied magnetic field. We further focus on the role of magnetic impurities, and show that they nucleate the Q-phase at lower magnetic fields. Our most crucial finding is that, even at zero applied field,…
The thermal behavior of a one-dimensional antiferromagnetic chain doped by donor impurities was analyzed. The ground state of such a chain corresponds to the formation of a set of ferromagnetically correlated regions localized near impurities (bound magnetic polarons). At finite temperatures, the magnetic structure of the chain was calculated simultaneously with the wave function of a conduction electron bound by an impurity. The calculations were performed using an approximate variational method and a Monte Carlo simulation. Both these methods give similar results. The analysis of the tempera…
We discuss effects of various impurities on the magnetic susceptibility and the specific heat of the quantum S=1/2 Heisenberg antiferromagnet on a two-dimensional square lattice. For impurities with spin S_i > 0 (here S_i=1/2 in the case of a vacancy or an added spin, and S_i=1 for a spin coupled ferromagnetically to its neighbors), our quantum Monte Carlo simulations confirm a classical-like Curie susceptibility contribution S_i^2/4T, which originates from an alignment of the impurity spin with the local Néel order. In addition, we find a logarithmically divergent contribution, which we attri…
The fidelity and entanglement entropy in an antiferromagnetic-ferromagnetic alternating Heisenberg chain are investigated by using the method of density-matrix renormalization-group. The effect of anisotropy on fidelity and entanglement entropy are investigated. The relations between fidelity, entanglement entropy and quantum phase transition are analyzed. It is found that the quantum phase transition point can be well characterized by both the ground-state entropy and fidelity for large system.
Dissipationless dynamics of spin supersolid states in a spin-1/2 triangular antiferromagnet with impurities
RIKEN Center for Emergent Matter Science (CEMS)（理化学研究所物质结构理论研究中心）；School of Physics, Beihang University（北京航空航天大学物理学院）；Institute of Theoretical Physics, Chinese Academy of Sciences（中国科学院理论物理研究所）；Peng Huanwu Collaborative Center for Research and Education, Beihang University（北京航空航天大学彭桓武研究中心）；RIKEN Center for Computational Science (R-CCS)（理化学研究所计算科学中心）；RIKEN Center for Quantum Computing (RQC)（理化学研究所量子计算中心）；RIKEN Pioneering Research Institute (PRI)（理化学所先锋研究本部）；Advanced Science Research Center, Japan Atomic Energy Agency（日本原子力研究机构先进科学研究中心）
We present a study of the spin-1/2 Heisenberg chain with alternating ferro- and antiferromagnetic exchange, focusing on the role of the exchange couplings to cover both, dimer and Haldane limit. Employing a complementary combination of perturbation theory and quantum Monte Carlo simulation, we report results for the magnetic susceptibility as well as the dynamic structure factor over a wide range of coupling constants and for different temperatures to extract the spin gap. For a small ferromagnetic coupling, we find good agreement between perturbation theory and quantum Monte Carlo. For arbitr…
The structure of magnetic polarons (ferrons) is studied for an 1D antiferromagnetic chain doped by non-magnetic donor impurities. The conduction electrons are assumed to be bound by the impurities. Such a chain can be described as a set of ferrons at the antiferromagnetic background. We found that two types of ferrons can exist in the system. The ground state of the chain corresponds to the ferrons with the sizes of the order of the localization length of the electron near the impurity. The ferrons of the second type produce a more extended distortion of spins in the chain. They are stable wit…
X-ray photon correlation spectroscopy (XPCS) enables us to study dynamics of antiferromagnets. Using coherent soft X-ray diffraction, we resonantly probe Mn and Co Bragg peaks in the frustrated magnetic chain compound Lu2CoMnO6 significantly below the Neel temperature. Bragg peaks of incommensurate order slide towards commensurate 'up up down down' order with decreasing temperature. Antiferromagnetic inhomogeneities produce speckle within the Bragg peaks, whose dynamics are probed by XPCS and compared to the classic Axial Next-Nearest Neighbor Interaction model of frustration. The data support…
A simple intuitive picture of spin-Peierls antiferromagnets arises from regarding the elementary excitations as S=1/2 solitons. In a strictly one-dimensional system these excitations are assumed not to form bound-states and to be repelled by impurities. Couplings to the three-dimensional lattice are assumed to produce an effective confining potential which binds solitons to antisolitons and to impurities, with the number of bound-states increasing as the interchain coupling goes to 0. We investigate these various assumptions numerically in a phononless model where spontaneous dimerization aris…
The magnitude of the staggered field is calculated from the EPR data for CuGeO3 doped with Co and Fe magnetic impurities. It is found that this parameter demonstrate an anomalous temperature and magnetic field dependence probably due to (i) the specific mechanism of the staggered field generation in doped CuGeO3 and (ii) a competition between antiferromagnetic interchain exchange and staggered Zeeman energy.
We study the order-from-disorder transition and reentrant magnetism in La(2-x)Sr(x)Cu(1-z)Zn(z)O(4) within the framework of a long-wavelength nonlinear sigma model that properly incorporates the Dzyaloshinskii-Moriya and XY anisotropies. Doping with nonmagnetic impurities, such as Zn, is considered according to classical percolation theory, whereas the effect of Sr, which introduces charge carriers into the CuO(2) planes, is described as a dipolar frustration of the antiferromagnetic order. We calculate several magnetic, thermodynamic, and spectral properties of the system, such as the antifer…
We discuss the universal theory of localized impurities in the paramagnetic state of 2D antiferromagnets where the spin gap is assumed to be significantly smaller than a typical exchange energy. We study the impurity spin susceptibility near the host quantum transition from a gapped paramagnet to a Neel state, and we compute the impurity-induced damping of the spin-1 mode of the gapped antiferromagnet. Under suitable conditions our results apply also to d-wave superconductors.
The charge dynamics of Ba(Fe$_{1-x}$TM$_x$)$_2$As$_2$ (TM = Mn and Cr) has been investigated by optical spectroscopy. It was found that in addition to the strong suppression of the coherent charge transport, the magnetic impurity induces a novel spectral feature related to the carrier localization in the far-infrared region above the antiferromagnetic transition temperature. We attribute it to the cooperative effect between conduction electrons and local magnetic order induced by magnetic impurities. The present results demonstrate that Mn and Cr are not conventional magnetic pair-breakers in …
We consider the effects of local impurities in highly frustrated diamond lattice antiferromagnets, which exhibit large but non-extensive ground state degeneracies. Such models are appropriate to many A-site magnetic spinels. We argue very generally that sufficiently dilute impurities induce an ordered magnetic ground state, and provide a mechanism of degeneracy breaking. The states which are selected can be determined by a "swiss cheese model" analysis, which we demonstrate numerically for a particular impurity model in this case. Moreover, we present criteria for estimating the stability of t…
The ground state phase diagrams and thermodynamic properties of a spin-1 bond-alternating Heisenberg antiferromagnetic chain with a single-ion anisotropy in longitudinal and transverse magnetic fields are investigated jointly by means of the infinite time evolving block decimation, the linearized tensor renormalization group and the density matrix renormalization group methods. It is found that in the magnetic field-bond alternating ratio plane six phases such as singlet dimer, Haldane, two Tomonaga-Luttinger liquid, 1/2 magnetization plateau and spin polarized phases are identified in a longi…
We study the magnetic susceptibility of one-dimensional S=1/2 antiferromagnets containing non-magnetic impurities which cut the chain into finite segments. For the susceptibility of long anisotropic Heisenberg chain-segments with open boundaries we derive a parameter-free result at low temperatures using field theory methods and the Bethe Ansatz. The analytical result is verified by comparing with Quantum-Monte-Carlo calculations. We then show that the partitioning of the chain into finite segments can explain the Curie-like contribution observed in recent experiments on Sr_2Cu_{1-x}Pd_xO_{3+δ…
We report a comprehensive study on the magnetic and structural properties of the spinel sulfides LiInCr4S8, LiGaCr4S8, and CuInCr4S8, where Li+/Cu+ and Ga3+/In3+ ions form a zinc-blende-type order. On the basis of synchrotron X-ray diffraction and magnetization data obtained using polycrystalline samples, these three sulfides are suggested to be breathing pyrochlore magnets with alternating antiferromagnetic and ferromagnetic interactions on the small and large tetrahedra, respectively. The measured magnetization processes of the three sulfides up to 72 T are significantly different. The magne…
Impurities, which are inherently present in any real material, may play an important role in the magnetism of frustrated spin systems with spin-liquid ground states. We address the impurity issue in quantum kagome antiferromagnets by investigating ZnCu$_3$(OH)$_6$SO$_4$ (Zn-brochantite) by means of muon spin spectroscopy. We show that muons couple to the impurity magnetism, originating from Cu-Zn intersite disorder, and that the impurities are highly correlated with the kagome spins, allowing us to probe the intrinsic kagome physics via a Kondo-like effect. The low-temperature plateau in local…
The magnetic behavior of antiferromagnetic spin 1/2 chains with site-centered impurities in a magnetic field is investigated. The effect of impurities is implemented by considering different situations of both diagonal and off-diagonal disorder. The resulting magnetization curves present a wide variety of plateaux, whose position strongly depends on the kind of disorder considered. The relevance of these results to experimental situations is also discussed.
The doping of quantum Heisenberg antiferromagnets on the kagome lattice by non-magnetic impurities is investigated within the framework of a generalized quantum dimer model (QDM) describing a) the valence bond crystal (VBC), b) the dimer liquid and c) the critical region on equal footing. Following the approach by Ralko et al. [Phys. Rev. Lett. 101, 117204 (2008)] for the square and triangular lattices, we introduce the (minimal) extension of the QDM on the Kagome lattice to account for spontaneous creation of mobile S=1/2 spinons at finite magnetic field. Modulations of the dimer density (at …
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 present results for the dynamic structure factor of the S=1/2 bond alternating Heisenberg chain over a large range of frequencies and temperatures. Data are obtained from a numerical evaluation of thermal averages based on the calculation of all eigenvalues and eigenfunctions for chains of up to 20 spins. Interpretation is guided by the exact temperature dependence in the noninteracting dimer limit which remains qualitatively valid up to an interdimer exchange $λ\approx 0.5$. The temperature induced central peak around zero frequency is clearly identified and aspects of the crossover to spi…
By using the coupled cluster method, the numerical exact diagonalization method, and the numerical density matrix renormalization group method, we investigated the properties of the one-dimensional Heisenberg chain with alternating antiferromagnetic and ferromagnetic next nearest neighbor interactions. In the classical limit, the ground state is in the collinear Neel state if a<1/2, while for a>1/2, there is an noncollinear canted state. For the quantum case, we found that, although the classical Neel state is absent, the canted state exists if the frustration parameter a exceeds a critical po…
We theoretically investigate the Heisenberg antiferromagnet on a triangular lattice doped with nonmagnetic impurities. Two nontrivial effects resulting from collective impurity behavior are predicted. The first one is related to presence of uncompensated magnetic moments localized near vacancies as revealed by the low-temperature Curie tail in the magnetic susceptibility. These moments exhibit an anomalous growth with the impurity concentration, which we attribute to the clustering mechanism. In an external magnetic field, impurities lead to an even more peculiar phenomenon lifting the classic…
We study S=1/2 dimers which are weakly coupled by three-dimensional antiferromagnetic interactions J'. It is commonly known that doping with non-magnetic impurities immediately induces a long-range Neel order. We show that application of an external magnetic field H may drive the system back to a disordered phase. We discuss the zero temperature phase diagram in the (H,J') plane and we propose suggestions for experiments.
We obtain the phase diagram in the parameter space $(J'/J, γ)$ and an accurate estimate of the critical line separating the different phases. We show several measuments of the magnetization, dimerization, nearest neighbours correlation, and density of energy in the different zones of the phase diagram, as well as a measurement of the string order parameter proposed as the non vanishing phase order parameter characterizing Haldane phases. All these results will be compared in the limit $J'/J\gg 1$ with the behaviour of the $\textbf{S}=1$ Bond Alternated Heisenberg Chain (BAHC). The analysis of …
We discuss the results of several small perturbations to the thermodynamic properties of Kagome Lattice Heisenberg Model (KLHM) at high and intermediate temperatures, including Curie impurities, dilution, in-plane and out of plane Dzyaloshinski-Moria (DM) anisotropies and exchange anisotropy. We examine the combined role of Curie impurities and dilution in the behavior of uniform susceptibility. We also study the changes in specific heat and entropy with various anisotropies. Their relevance to newly discovered materials ZnCu3(OH)6Cl2 is explored. We find that the magnetic susceptibility is we…
