In this contribution on the celebration of the 80th birthday anniversary of Prof. Ricardo Ferreira, we present a brief survey on the magnetism of quasi-one-dimensional compounds. This has been a research area of intense activity particularly since the first experimental announcements of magnetism in organic and organometallic polymers in the mid 80s. We review experimental and theoretical achievements on the field, featuring chain systems of correlated electrons in a special AB2 unit cell structure present in inorganic and organic compounds.
We have developed the crystal-field approach with strong electron correlations, extended to the Quantum Atomistic Solid-State theory (QUASST), as a physically relevant theoretical model for the description of electronic and magnetic properties of 3d-atom compounds. Its applicability has been illustrated for LaCoO3, FeBr2 and Na2V3O7. According to the QUASST theory in compounds containing open 3d-/4f-/5f-shell atoms the discrete atomic-like low-energy electronic structure survives also when the 3d atom becomes the full part of a solid matter. This low-energy atomic-like electronic structure, be…
We point out that the orbital magnetism has to be taken into account in the description of real 3d-ion compounds. According to the developed by us the Quantum-Atomistic Solid-State (QUASST) theory in compounds containing open 3d-/4f-/5f-shell atoms there exists a discrete atomic-like low-energy electronic structure that predominantly determines electronic and magnetic properties of the whole compound. The relatively weak intra-atomic spin-orbit coupling is fundamentally important as it governs the low-energy discrete electronic structure.
The M-1222 compounds are synthesized in near single phase form. These compounds crystallise in I4/mmm Tetragonal structure. None of the studied compound is superconducting but they asre weakly magnetic. This is first report on synthesis of Cr and Mn -1222 compounds. These compounds are synthesized at ultra conditions of HPHT that is the 6 Gpa and 1400 C.
We measured the temperature dependence of the magnetic susceptibility and specific heat and the magnetic-field dependence of the magnetization of CuInVO$_5$. An antiferromagnetically ordered state appears below $T_{\rm N} = 2.7$ K. We observed a $\frac{1}{2}$ quantum magnetization plateau above 30 T at 1.3 K. We show that the spin system consists of antiferromagnetic spin-$\frac{1}{2}$ tetramers with $J_1 = 240 \pm 20$ and $J_2 = -142 \pm 10$ K for the intratetramer interactions.
Systematic experimental (vibrating sample magnetometry) and theoretical (electronic structure calculations using charge and spin self-consistent Korringa-Kohn-Rostoker Green function method) studies were performed on a series of intermetallic sigma-phase Fe(100-x)Re(x) (x = 43-53) compounds. Clear evidence was found that all investigated samples exhibit magnetism with an ordering temperature ranging between 65 K for x = 43 and 23 K for x = 53. The magnetism was revealed to be itinerant and identified as a spin-glass (SG) possibly having a re-entrant character. The SG was found to be heterogene…
Using results of the band structure calculations in the local-spin-density approximation we demonstrate how the crystal distortions affect the magnetic structure of orthorhombically distorted perovskites leading to a non-collinear spin arrangement. Our results suggest that the non-collinearity of the spin magnetic moments, being generally small in La$M$O$_3$ series with $M$=Cr-Fe, is large in SrRuO$_3$.
The properties of the novel heavy fermion superconductor Ce$_3$PtIn$_{11}$ are investigated by thermodynamic and transport measurements at ambient and under hydrostatic pressure. At ambient pressure the compound exhibits two successive magnetic transitions at $T_1$ $\approx$ 2.2 K and $T_{\rm N}$ $\approx$ 2 K into antiferromagnetically ordered states and enters into a heavy fermion superconducting phase below $T_{\rm c}$ $\approx$ 0.32 K. The coexistence of long-range magnetic order and superconductivity is discussed in the context of the existence of the two crystallographically inequivalent…
Magnetism in the insulating BaFe$_2$Se$_3$ was examined through susceptibility, specific heat, resistivity and neutron diffraction measurements. After formation of a short-range magnetic correlation, a long-range ordering was observed below $T_{\rm N}\sim 255$ K. The transition is obscured by bulk properties. Magnetic moments ($\parallel a$) are arranged to form a Fe$_4$ ferromagnetic unit, and each Fe$_4$ stacks antiferromagnetically. This block magnetism is of the third type among magnetic structures of ferrous materials. The magnetic ordering drives unusually large distortion via magnetoela…
A comprehensive study of impurity-induced magnetism in nonmagnetically (Mg${}^{2+}$) and magnetically (Co${}^{2+}$) doped PbNi${}_{2}$V${}_{2}$O${}_{8}$ compounds is given, using both macroscopic dc susceptibility and local-probe electron spin resonance (ESR) techniques. Magnetic coupling between impurity-liberated spins is estimated from a linewidth of low-temperature ESR signal in Mg-doped samples. In addition, in the case of magnetic cobalt dopants the impurity-host magnetic exchange is evaluated from the Co-induced contribution to the linewidth in the paramagnetic phase. The experimentally…
C14 Nb(Fe89.4Al10.6)2 Laves phase intermetallic compound was investigated by DC magnetization (M) measurements performed in the temperature (T) interval of 20 to 175 K,under an applied magnetic field (H) ranging between 50 and 1250 Oe. Magnetization curves were recorded in the field-cooled (FC) and in the zero-field-cooled (ZFC) modes. They clearly showed an irreversible character that vanished at H=1250 Oe. Both magnetization curves exhibited well-defined peaks around T_N =72.3 K whose positions were H-independent, so they were identified as the compound's Néel temperature. The existence of i…
Magnetism in transition metal compounds is usually considered starting from a description of isolated ions, as exact as possible, and treating their (exchange) interaction at a later stage. We show that this standard approach may break down in many cases, especially in $4d$ and $5d$ compounds. We argue that there is an important intersite effect -- an orbital-selective formation of covalent metal-metal bonds, which leads to an "exclusion" of corresponding electrons from the magnetic subsystem, and thus strongly affects magnetic properties of the system. This effect is especially prominent for …
A quasi one-dimensional compound, Ca3CuRuO6, has been synthesized by solid-state reaction method and studied using magnetization (M) and heat capacity (C) measurements. This compound undergoes magnetic ordering (T_o) around 40 K, as evidenced by the dc magnetic susceptibility (chi) behavior. However, the magnitude of the paramagnetic Curie temperature (theta_p) obtained from the high temperature linear region is large (-277 K, with the negative sign indicating antiferromagnetic interaction). The reduction of T_o, compared to theta_p, is attributed to geometrical frustration effect arising from…
Recent discovery of high T_c superconductivity in Fe-based compounds may have opened a new pathway to the room temperature superconductivity. The new materials feature FeAs layers instead of the signature CuO_2 planes of much-studied cuprates. A model Hamiltonian describing FeAs layers is introduced, highlighting the crucial role of puckering of As atoms in promoting d-electron itinerancy and warding off large local-moment magnetism of Fe ions, the main enemy of superconductivity. Quantum many-particle effects in charge, spin and multiband channels are explored and a nesting-induced spin densi…
Among the members of the series R2PdSi3 (R= Rare-earths), the magnetic behavior of the Nd compound is interesting in some respects. This compound is considered to order ferromagnetically (below 16 K), unlike other members of this series which order antiferromagnetically. In addition, magnetic ordering temperature (To) is significantly enhanced with respect to de Gennes scaled value. In order to understand the magnetism of this compound better, we have investigated the magnetic behavior in detail (under external pressure as well) and also of its solid solutions based on substitutions at Nd and …
The magnetic phase diagram in the H-T coordinates has been determined for σ-Fe68V32 from the ZFC/FC magnetization measurements. The re-entrant character of magnetism, going from paramagnetic through ferromagnetic to spin-glass (SG) states, has been evidenced. The SG phase is magnetically heterogeneous, because two sub phases can be identified i.e. with the strong (SG-SI) and the weak (SG-WI) irreversibility. The ireversibility, T_irr and the crossover, T_cros, temperatures were quantitatively analysed using the mean-field theory and ϕ_irr=1.6(2) and ϕ_cros=0.91(9) values were obtained. A quali…
A review of the magnetism in the parent compounds of the iron-based superconductors is given based on the transmission Moessbauer spectroscopy of 57Fe and 151Eu. It was found that the 3d magnetism is of the itinerant character with varying admixture of the spin-polarized covalent bonds. For the 122 compounds a longitudinal spin density wave (SDW) develops. In the case of the EuFe2As2 a divalent europium orders antiferromagnetically at much lower temperature as compared to the onset of SDW. These two magnetic systems remain almost uncoupled one to another. For the non-stoichiometric Fe(1+x)Te p…
In this review article we present a survey of unconventional superconductors and their coexistence behaviour with magnetism. We focus on Ce- and U-based heavy fermion superconductors, in addition we discuss the rare earth borocarbide and skutterudite superconductors. We show that heavy fermion behaviour in Ce- and U- compounds should be described differently. While the Kondo-lattice model with localised 4f-electrons is appropriate for Ce-compounds, dual models including localised and itinerant 5f-electrons are necessary for U-compounds. We demonostrate that this leads to consistent results for…
We measured magnetization, specific heat, electron spin resonance, neutron diffraction, and inelastic neutron scattering of CrVMoO$_7$ powder. An antiferromagnetically ordered state appears below $T_{\rm N} = 26.5 \pm 0.8$ K. We consider that the probable spin model for CrVMoO$_7$ is an interacting antiferromagnetic spin-$\frac{3}{2}$ dimer model. We evaluated the intradimer interaction $J$ to be $25 \pm 1$ K and the effective interdimer interaction $J_{\rm eff}$ to be $8.8 \pm 1$ K. CrVMoO$_7$ is a rare spin dimer compound that shows an antiferromagnetically ordered state at atmospheric press…
A C14 Nb0.975Fe2.025 Laves phase compound was investigated aimed at determining the H-T magnetic phase diagram. Magnetization, M, and AC magnetic susceptibility measurements were performed. Concerning the former field-cooled and zero-field-cooled M-curves were recorded in the temperature range of 2-200K and in applied magnetic field, H, up to 1000 Oe, isothermal M(H) curves at 2 K, 5 K, 50 K, 80 K and 110 K as well as hysteresis loops at several temperatures over the field range of -10 to +10kOe. Regarding the AC susceptibility, both real and imaginary components were registered as a function …
Ce(Fe_{1-x}Ga_x)_2 compounds with x = 0, 0.01, 0.025 and 0.05 have been investigated to unravel the effect of Ga on the magnetic state of CeFe_2. For the first time, we find that the dynamic antiferromagnetic phase present in CeFe_2 gets stabilized with Ga substitution. The hysteresis loops show that while the compounds with x = 0 and 0.01 show normal behavior, the other two show multiple magnetization steps across the antiferromagnetic-ferromagnetic transition region. The virgin curve is found to lie outside the envelope curve in these two compounds, similar to the observations made in Ru and…
We investigated the iron-based ladder compounds (Ba,Cs)Fe$_2$Se$_3$. Their parent compounds, BaFe$_2$Se$_3$ and CsFe$_2$Se$_3$, have different space groups, formal valences of Fe and magnetic structures. Electrical resistivity, specific heat, magnetic susceptibility, X-ray diffraction and powder neutron diffraction measurements were conducted to obtain temperature and composition phase diagram of this system. Block magnetism observed in BaFe$_2$Se$_3$ is drastically suppressed with Cs doping. In contrast, stripe magnetism observed in CsFe$_2$Se$_3$ is not so fragile against Ba doping. New type…
We measured the magnetic susceptibilities of Cu$_6$Ge$_6$O$_{18}$-xH$_2$O ($x = 0 \sim 6$). Susceptibility above the antiferromagnetic (AF) transition temperature ($T_{\rm N}$) agrees with susceptibility of the one-dimensional Heisenberg $S = 1/2$ model with competing AF interactions. From the estimated ratio between nearest-neighbor and next-nearest-neighbor AF exchange interactions, the spin system is probably located near a boundary between spin systems with gapless and gapped magnetic excitation. The value of $T_{\rm N}/T_{\rm max}$, where $T_{\rm max}$ is temperature at which the suscepti…
In this work, we investigate the magnetic, heat capacity and electrical transport properties of Ce0.6La0.4Ge and Ce0.24La0.76Ge compounds. Our results show that two antiferromagnetic transitions (~ at 4.7 and 2.7 K) exhibited by Ce0.6La0.4Ge are suppressed below 1.8 K for Ce0.24La0.76Ge. Interestingly, for Ce0.24La0.76Ge, susceptibility, heat capacity and electrical resistivity vary with temperature as: T0.75, T0.5 and T1.6 respectively. The observation of such anomalous temperature variation suggests to the Non-Fermi-liquid (NFL) behavior due to the presence of disordered 4f spins due to Ce-s…
The majority of the iron-based superconductors (FeSCs) exhibit a two-dimensional square lattice structure. Recent reports of pressure-induced superconductivity in the spin-ladder system, BaFe$_2$X$_3$ (X =S,Se), introduce a quasi-one-dimensional prototype and an insulating parent compound to the FeSCs. Here we report X-ray, neutron diffraction and muon spin relaxation experiments on BaFe$_2$Se$_3$ under hydrostatic pressure to investigate its magnetic and structural properties across the pressure-temperature phase diagram. A structural phase transition was identified at a pressure of 3.7(3) GP…
The layered compound with distorted Kagome nets, Dy3Ru4Al12, was previously reported to undergo antiferromagnetic ordering below (TN=) 7 K, based on investigations on single crystals. Here, we report the results of our investigation of ac and dc magnetic susceptibility (\c{hi}), isothermal remnant magnetization (MIRM), heat-capacity, magnetocaloric effect and magnetoresistance measurements on polycrystals. The present results reveal that there is an additional magnetic anomaly around 20 K, as though the Néel order is preceded by the formation of ferromagnetic clusters. We attribute this featur…
A review of fundamental works by Shubin and Vonsovsky on the formulation of the polar and s-d(f) exchange models is given. Their ideas are compared with subsequent developments in the theory of magnetism in d- and f-metals and their compounds. Modern approaches including different slave-boson and slave-fermion representations, formation of exotic quasiparticles etc. are discussed. Internal connections between various many-electron models (the Heisenberg, Hubbard, t-J, Anderson Hamiltonians) are presented. Description of anomalous rare-earth and actinide compounds (Kondo lattices, systems with …
The title quasi-1D copper oxides (0=< x =<0.4) were investigated by neutron diffraction and magnetic susceptibility studies. Polyhedral CuO4 units in the compounds were found to comprise linear-chains at inter-chain distance of approximately 10 A. The parent chain compound (x = 0), however, shows less anisotropic magnetic behavior above 2 K, although it is of substantially antiferromagnetic (mu_{eff}= 1.85 mu_{B} and Theta_{W} = -46.4 K) spin-chain system. A magnetic cusp gradually appears at about 100 K in T vs chi with the Bi substitution. The cusp (x = 0.4) is fairly characterized by and th…
Theoretical foundations and applications of the generalized spin-fermion (sp-d) exchange lattice model to various magnetic systems, e.g. rare-earth metals and compounds and magnetic semiconductors are discussed. The capabilities of the model to describe spin quasi-particle spectra are investigated. The main emphasis is made on the dynamical behavior of two interacting subsystems, the localized spins and spin density of itinerant carriers. A nonperturbative many-body approach, the Irreducible Green Functions (IGF) method, is used to describe the quasi-particle dynamics. Scattering states are in…
We report the magnetic properties of compounds in the KBaRE(BO3)2 family (RE= Sm, Eu, Gd, Tb, Dy, Ho, Er, Tm, Yb), materials with a planar triangular lattice composed of rare earth ions. The samples were analyzed by x-ray diffraction and crystallize in the space group R-3m. Physical property measurements indicate the compounds display predominantly antiferromagnetic interactions between spins without any signs of magnetic ordering above 1.8 K. The ideal 2D rare earth triangular layers in this structure type make it a potential model system for investigating magnetic frustration in rare-earth-b…
The RuSr2Gd1.5Ce0.5Cu2O10-d (Ru-1222) compounds, with varying oxygen content, crystallize in a tetragonal crystal structure (space group I4/mmm). Resistance (R) versus temperature (T) measurements show that the air-annealed samples exhibit superconductivity with superconducting transition temperature (Tc) onset at around 32 K and R=0 at 3.5 K. On the other hand, the N2-annealed sample is semiconducting down to 2 K. Magneto-transport measurements on air-annealed sample in applied magnetic fields of 3 and 6 Tesla show a decrease in both Tc onset and TR=0. Magnetoresistance of up to 20% is observ…
Quantum spin liquid (QSL) state in rare-earth triangular lattice has attracted much attention recently due to its potential application in quantum computing and communication. Here we report the single-crystal growth synthesis, crystal structure characterizations and magnetic properties of $A$YbSe$_{2}$ ($A$= K, Rb) compounds. The X-ray diffraction analysis shows that $A$YbSe$_{2}$ ($A$ = K and Rb) crystallizes in a trigonal space group, $R$-3$m$ (No. 166) with Z = 3. $A$YbSe$_{2}$ possesses a two-dimensional (2D) Yb-Se-Yb layered structure formed by edged-shared YbSe$_6$ octahedra. The magnet…
Single-crystalline UAu$_2$Si$_2$ has been grown by a floating-zone melting method, and its magnetic, thermal and transport properties have been investigated through measurements of magnetization, specific heat and electrical resistivity to reveal its peculiar magnetism. It is shown that UAu$_2$Si$_2$ undergoes a second-order phase transition at \tm = 19 K, which had been believed to be ferromagnetic ordering in the literature, from a paramagnetic phase to an uncompensated antiferromagnetic phase with spontaneous magnetization along the tetragonal $c$-axis (the easy magnetization direction). Th…
Single crystals of the single Kagome layer compound FeSn are investigated using x-ray and neutron scattering, magnetic susceptibility and magnetization, heat capacity, resistivity, Hall, Seebeck, thermal expansion, thermal conductivity measurements and density functional theory (DFT). FeSn is a planar antiferromagnet below TN = 365 K and exhibits ferromagnetic magnetic order within each Kagome layer. The in-plane magnetic susceptibility is sensitive to synthesis conditions. Resistivity, Hall and Seebeck results indicate multiple bands near the Fermi energy. The resistivity of FeSn is about 3 t…
We have compared by $^{23}$Na NMR and magnetic susceptibility the magnetic properties of oriented powder samples of Na$_{x}$CoO$_{2}$ compounds. The NMR spectra are found identical for various samples with nominal $0.50\leq x\leq 0.70,$ which establishes that the dominant phase has a single composition $x\approx 0.70$. Three Na sites are identified from their single valued quadrupole effects and magnetic shifts which implies a very definite order of the Na$^{+}$ ions and of the Co charges in the CoO$_{2}$ planes. The local susceptibility of the magnetic cobalt sites displays a large enhancemen…
Moessbauer spectroscopy measurements were performed for the temperature range between 4.2 K and 300 K in a transmission geometry applying 14.41-keV resonant line in 57Fe for PrFeAsO the latter being a parent compound of the iron-based superconductors belonging to the '1111' family. It was found that an itinerant 3d magnetic order develops at about 165 K and it is accompanied by an orthorhombic distortion of the chemical unit cell. A complete longitudinal 3d incommensurate spin density wave (SDW) order develops at about 140 K. Transferred hyperfine magnetic field generated by the praseodymium m…
We report temperature dependent ac susceptibility ($χ$) measurements on a high quality single crystal of Tb$_2$PdSi$_3$, crystallizing in a AlB$_2$-derived hexagonal structure. This compound is found to exhibit features attributable to quasi-low-dimensional magnetism at high temperatures and {\it anisotropic} spin-glass-like behavior at low temperatures ($<$ 10 K) with an unusually large frequency dependence of peak temperature in ac $χ$(T). This compound thus presents a novel situation in {\it metallic magnetism}, considering that the former phenomenon is normally encountered only among insul…
Here We present the structural studies on MnTi1-xRuxO3(x=0, 0.2) compounds. The role of Ti ions in the magnetism of MnTiO3 was unclear so here this issue has been tried to address in this manuscript. The magnetic susceptibility data shows that the 3-dimensional magnetic character has been improved in the doped MnTiO3. The x=0 compound goes paramagnetic to antiferromagnetic phase at a temperature 64K followed by a broad peak at a temperature 100K . But in x=0.2 compound the antiferromagnetic transition temperature has been shifted towards the lower temperature to 47.5K with a broad peak at temp…
We systematically investigate the magnetic properties and local structure of Ba2YIrO6 to demonstrate that Y and Ir lattice defects in the form of antiphase boundary or clusters of antisite disorder affect the magnetism observed in this $d^4$ compound. We compare the magnetic properties and atomic imaging of (1) a slow cooled crystal, (2) a crystal quenched from 900\degree C after growth, and (3) a crystal grown using a faster cooling rate than the slow cooled one. Atomic imaging by scanning transmission electron microscopy (STEM) shows that quenching from 900oC introduces antiphase boundary to…
The quest for experimental platforms that allow for the exploration, and even control, of the interplay of low dimensionality and frustration is a fundamental challenge in several fields of quantum many-body physics, such as quantum magnetism. Here, we propose the use of cold crystals of trapped ions to study a variety of frustrated quantum spin ladders. By optimizing the trap geometry, we show how to tailor the low dimensionality of the models by changing the number of legs of the ladders. Combined with a method for selectively hiding of ions provided by laser addressing, it becomes possible …
The electronic and magnetic properties of Ba$_5$AlIr$_2$O$_{11}$ containing Ir-Ir dimers are investigated using the GGA and GGA+SOC calculations. We found that strong suppression of the magnetic moment in this compound recently found in [J. Terzic {\it et al.}, Phys. Rev. B {\bf 91}, 235147 (2015)] is not due to charge-ordering, but is related to the joint effect of the spin-orbit interaction and strong covalency, resulting in the formation of metal-metal bonds. They conspire and act against the intra-atomic Hund's rule exchange interaction to reduce total magnetic moment of the dimer. We argu…
Universität Würzburg（维尔茨堡大学）；CINECA National Supercomputing Center（CINECA国家超级计算中心）；LPEM, ESPCI Paris, PSL Research University, CNRS, Sorbonne Université（LPEM，巴黎高等物理化工学院，PSL研究大学，法国国家科学研究中心，索邦大学）
We report on the physical properties of the series Ce_(1-x)La_xIr_2B_2 (x D 0-0.9), obtained by means of magnetization, heat capacity and electrical resistivity measurements as a function of temperature (down to 0.7 K for the latter two measurements). The Curie temperature of CeIr2B2 (?5 K) is lowered due to La substitution, as expected. However, no quantum critical point or 'non-Fermi liquid' behavior was observed even in the dilute limit of x D 0:9. Interestingly, ferromagnetic ordering persists even for Ce0:1La0:9Ir2B2, below 0.8 K. Among the Ce systems, CeIr2B2 is one of the compounds in w…
We present the results of x-ray scattering and muon-spin relaxation ($μ^{+}$SR) measurements on the iron-pnictide compound FeCrAs. Polarized non-resonant magnetic x-ray scattering results reveal the 120$^\circ$ periodicity expected from the suggested three-fold symmetric, non-collinear antiferromagnetic structure. $μ^+$SR measurements indicate a magnetically ordered phase throughout the bulk of the material below $T_\mathrm{N}$=105(5) K. There are signs of fluctuating magnetism in a narrow range of temperatures above $T_\mathrm{N}$ involving low-energy excitations, while at temperatures well b…
Sr_4Cr_3O_9 is the n = 2 member of a family of quasi-one-dimensional compounds A_{n+2}T_{n+1}O_{3n+3} (A = Ca, Sr, or Ba, T = transition metal, and n = 1 to \infty) having a crystal structure which consists of chains of n TO_6 octahedra alternated by one TO_6 trigonal prism running along the c-axis. The chains are arranged on a triangular lattice in the ab-plane. We report the synthesis, structure, magnetization M versus magnetic field H, magnetic susceptibility χversus temperature T and specific heat C versus T measurements on sintered and arc-melted polycrystalline samples of Sr_4Cr_3O_9. Th…
Magnetic ($χ$), transport ($ρ$) and heat capacity ($C_m$)properties of CeIrSi are investigated to elucidate the effect of geometric frustration in this compound with trillium type structure because, notwithstanding its robust effective moment, $μ_{\rm eff}\approx 2.46μ_B$, this Ce-lattice compound does not undergo a magnetic transition. In spite of that it shows broad $C_m(T)/T$ and $χ(T)$ maxima centered at $T_{max}\approx 1.5$\,K, while a $ρ\propto T^2$ thermal dependence, characteristic of electronic spin coherent fluctuations, is observed below $T_{coh} \approx 2.5$\,K. Magnetic field does…
Essentially all undoped cuprates exhibit a quasi-planar, fourfold Cu-O coordination responsible for the magnetically active antibonding 3d-(x^2-y^2)-like state. Here, we present an electronic structure study for CuSb2O6 that reveals, in contrast, a half-filled 3d-(3z^2-r^2) orbital. This hitherto unobserved ground state originates from a competition of in- and out-of-plaquette orbitals where the strong Coulomb repulsion drives the surprising and unique orbital ordering. This, in turn, gives rise to an unexpected quasi one-dimensional magnetic behavior. Our results provide a consistent explanat…
Ab initio spin Hamiltonians and magnetism of Ce and Yb triangular-lattice compounds
École polytechnique, Institut Polytechnique de Paris（巴黎综合理工学院，巴黎理工学院）；Collège de France, Université PSL（法兰西公学院，巴黎文理研究大学）；Max Planck Institute for the Physics of Complex Systems（马克斯·普朗克复杂系统物理研究所）
The electronic structure and magnetic properties of the Jahn-Teller-distorted perovskite KAgF3 have been investigated using the full-potential linerized aug- mented plane-wave method. It is found that KAgF3 exhibits significant quasi-one- dimensional antiferromagnetism with the ratio of exchange constant jJ?j (perpen- dicular to the z axis) and J (along the z axis) about 0.04, although the sublattice of magnetic ion is three-dimensional. The strong quasi-one-dimensional antiferromag- netism originates from the C-antiferro-distortive orbital ordering of the Ag2+ 4d9 ions. The orbital ordered an…
We report muon-spin relaxation measurements on SrFeAsF, which is the parent compound of a newly discovered iron-arsenic-fluoride based series of superconducting materials. We find that this material has very similar magnetic properties to LaFeAsO, such as separated magnetic and structural transitions (TN = 120 K, Ts = 175 K), contrasting with SrFe2As2 where they are coincident. The muon oscillation frequencies fall away very sharply at TN, which suggests that the magnetic exchange between the layers is weaker than in comparable oxypnictide compounds. This is consistent with our specific heat m…
The low energy spin excitations of the Fe pnictide parent compounds have been determined by inelastic neutron scattering and interpreted within the local moment J_1a,b-J_2 Heisenberg model with orthorhombic symmetry. This has led to alternative exchange models that strongly differ in the size of anisotropy. Although the compounds are itinerant the localised spin model can explain basic features of the excitations. The inherent frustration of this model leads to quantum fluctuations and possible moment reduction. We investigate this question in detail using spin wave approximation and partly ex…
Magnetic order at room temperature induced by atomic lattice defects, like vacancies, interstitials or pairs of them, has been observed in a large number of different nonmagnetic hosts, such as pure graphite, oxides and silicon-based materials. High Curie temperatures and time independent magnetic response at room temperature indicate the extraordinary robustness of this new phenomenon in solid state magnetism. In this work, we review experimental and theoretical results in pure TiO$_2$ (anatase), which magnetic order can be triggered by low-energy ion irradiation. In particular, we discuss th…
The electronic structure and magnetism of a new magnetic intercalation compound (Li0.8Fe0.2)OHFeSe are investigated theoretically. The electronic structure calculations predict that the Fe in the (Li,Fe)OH intercalated layer is in +2 valence state, i.e. there is electron doping to the FeSe layer, resulting in the shrinking of the Fermi surface (FS) pocket around Gamma and a strong suppression of dynamical spin susceptibility at M in comparison with the bulk FeSe compound. The ground state of the FeSe layer is a striped antiferromagnetic (SAFM) metal, while the (Li,Fe)OH layer displays a very w…
Coexistence of long-range magnetic order and dynamical magnetism in the V-based Kagome metals: A combined thermodynamic and $μ$SR study
Kyushu Institute of Technology（九州工业大学）；Forschungszentrum Jülich（于利希研究中心）；Technical University of Munich（慕尼黑工业大学）；National Cheng Kung University（国立成功大学）
The magnetism of Sr$_2$F$_2$Fe$_2$OS$_2$ was examined through neutron powder diffraction and thermodynamic and transport measurements. Quasi-two-dimensional magnetic order develops below $T_N$ = 106(2) K with an in-plane correlation length exceeding 310 Å and an out-of-plane correlation length of just 17(3) Å. The data are consistent with a two-k structure with $k_1$ = (1/2, 0, 1/2) and $k_2$ = (0, 1/2, 1/2) and an ordered moment of 3.3(1) $μ_B$ oriented along the in-plane components of k. This structure is composed of orthogonal AFM chains intersecting at super-exchange mediating O sites. Den…
The intermetallic compound \PFA\ that possesses a three-dimensional network structure of Al polyhedra centered at the transition metal element Fe and the rare earth Pr is investigated through neutron powder diffraction and inelastic neutron scattering in order to elucidate the magnetic ground state of Pr and Fe and the crystal field effects of Pr. Our neutron diffraction study confirms long-range magnetic order of Pr below $T_N $ = 4.5~K in this compound. Subsequent magnetic structure estimation reveals a magnetic propagation vector $k$ = ($\frac{1}{2}$~0~$\frac{1}{2}$) with a magnetic moment …
The microscopic spin-spin correlations in the 2D layered spin-1 honeycomb lattice compound Na2Ni2TeO6 have been investigated by neutron diffraction and inelastic neutron scattering. The honeycomb lattice of spin-1 Ni2+ ions, within the crystallographic ab planes, are well separated along the c axis by an intermediate Na layer whose crystal structure contains chiral nuclear density distributions of Na ions. The chirality of the alternating Na layers is opposite. Such alternating chirality of the Na layer dictates the magnetic periodicity along the c axis where an up-up-down-down spin arrangemen…
A detailed study of the low-temperature magnetic state and the relaxation in the phase-separated colossal magnetoresistance Nd2/3Ca1/3MnO3 perovskite has been carried out. Clear experimental evidence of the cluster-glass magnetic behavior of this compound has been revealed. Well defined maxima in the in-phase linear ac susceptibility $χ^{/}(T)$ were observed, indicative of the magnetic glass transition at $T_{g}$ = 60 K. Strongly divergent zero-field-cooled and field-cooled static magnetizations and frequency dependent ac susceptibility are evident of the glassy-like magnetic state of the comp…
