We report on Raman scattering measurements of the A-site ordered YBaMn2O6 in the wide temperature range of 10-650K. Upon cooling almost all phonon modes show pronounced temperature dependencies of frequency, linewidth, and scattering intensity. This suggests that the octahedra tilting, Mn-O bond angles and lengths vary with temperature in a concerted way. The remarkable feature is that the high-temperature metallic and the charge and orbital ordered (CO-OO) states coexist down to T_N=195K. In the antiferromagnetic state zone-folded modes are induced by the CO-OO superstructure and the phonon modes undergo an anomalous softening and narrowing. Our results evidence that the CO-OO state is stabilized by the spin ordering for temperatures below T_N.
Effects of Al, Mn and Sb dopings in CeFe2 and effect of applied pressure have been investigated. Al doping gives rise to the FM-AFM transition and a reduction in the magnetic moment and TC values, clearly indicating the growth of the AFM component. Mn and Sb dopings only cause a reduction in TC value. It is found that in general external pressure enhances the antiferromagnetism in both the pure and the doped alloys. Enhancement of the Ce 4f- Fe 3d hybridization as a result of dopings and with the external pressure may be the reason for the stabilization of antiferromagnetism in these alloys.
We have investigated the structural and magnetic properties of antiferroelectric $A_2$CoTeO$_6$ perovskites with $A$ = Cd, Ca, Sr, Pb, and Ba. All compounds are antiferromagnetic at low temperatures, with the antiferromagnetic transition temperature slightly decreasing with decreasing ionic size of the $A$ cation. Such a decrease in antiferromagnetic interaction is not observed in $A^{2+}_2$Co$M^{6+}$O$_6$ materials with other $M^{6+}$ cations of similar ionic sizes, suggesting that Te$^{6+}$ cations affect the electronic and in turn the magnetic structure of the system.
Synthesis, crystal structure and magnetic properties of a new 2:1 ordered triple perovskite Sr3CaOs2O9 are reported. The compound crystallizes in P21/c space group and features a unique buckled honeycomb lattice of osmium. It exhibits long-range antiferromagnetic ordering with a high Neel temperature of 385 K as confirmed by susceptibility, heat capacity and neutron diffraction measurements and is electrically insulating. This compound is also the first example of a 2:1 ordered osmate perovskite. Theoretical investigations indicate that Sr3CaOs2O9 features a sizeable antiferromagnetic exchange…
1T-TaS$_2$ is a prototypical charge-density-wave (CDW) system with a Mott insulating ground state. Usually, a Mott insulator is accompanied by an antiferromagnetic state. However, the antiferromagnetic order had never been observed in 1T-TaS$_2$. Here, we report the stabilization of the antiferromagnetic order by the intercalation of a small amount of Fe into the van der Waals gap of 1T-TaS$_2$, i.e. forming 1T-Fe$_{0.05}$TaS$_2$. Upon cooling from 300~K, the electrical resistivity increases with a decreasing temperature before reaching a maximum value at around 15~K, which is close to the Nee…
We investigate the electronic structure of the ternary iron selenide K$_{y}$% Fe$_{1.6}$Se$_{2}$ by considering the spatial symmetry of the $\sqrt{5}% \times \sqrt{5}$ vacancy ordered structure. Based on three orbitals of $% t_{2g}$, which are believed to play major physics in iron-based superconductors, an effective two-dimensional tight binding Hamiltonian is constructed with the vacancy ordered structure being explicitly included. It is shown that the constructed band model, when combined with generalized Hubbard interactions, yields a spin susceptibility which exhibits both the block-check…
We unveil the novel physical origin of the insulating block checkerboard antiferromagnetism in vacancy-ordered K2Fe4Se5. Our first-principles electronic structure analysis reveals its incompatibility with a simple Fermi-surface nesting or Mott insulator scenario, and suggests the picture of coexisting itinerant and localized electronic states. Consistently, we demonstrate that it can be unified with the metallic collinear or bicollinear antiferromagnetism of the vacancy-free parent compounds LaOFeAs, BaFe2As2, or FeTe in the spin-fermion model. These results indicate that the blocking effects …
Magnetization, nuclear magnetic resonance, high-resolution x-ray diffraction and magnetic field-dependent neutron diffraction measurements reveal a novel magnetic ground state of Ba{0.60}K{0.40}Mn2As2 in which itinerant ferromagnetism (FM) below a Curie temperature TC = 100 K arising from the doped conduction holes coexists with collinear antiferromagnetism (AFM) of the Mn local moments that order below a Neel temperature TN = 480 K. The FM ordered moments are aligned in the tetragonal ab-plane and are orthogonal to the AFM-ordered Mn moments that are aligned along the c-axis. The magnitude an…
Compounds based on the Fe2P structure have continued to attract interest because of the interplay between itinerant and localized magnetism in a non-centrosymmetric crystal structure, and because of the recent developments of these materials for magnetocaloric applications. Here we report the growth and characterization of mm size single crystals of FeMnP0.8Si0.2. Single crystal x-ray diffraction, magnetization, resistivity, Hall and heat capacity data are reported. Surprisingly, the crystals exhibit itinerant antiferromagnetic order below 158 K with no hint of ferromagnetic behavior in the ma…
The dynamical Jahn--Teller effect on fullerene sites in insulating Cs$_3$C$_{60}$ is investigated fully ab initio. The vibronic excitations of rotational type are at $\ge$65 cm$^{-1}$ while the net kinetic contribution to the Jahn--Teller stabilization energy constitutes ca 90 meV. This means that no localization of distortions by intermolecular interactions is possible in these fullerides, therefore, free rotations of deformations take place independently on each C$_{60}$. The latter destroy the orbital ordering and establish a conventional exchange interaction between $S=1/2$ on fullerene si…
Nature of the field-induced charge ordered phase (phase II) of SmRu$_4$P$_{12}$ has been investigated by resonant x-ray diffraction (RXD) and polarized neutron diffraction (PND), focusing on the relationship between the atomic displacements and the antiferromagnetic (AFM) moments of Sm. From the analysis of the interference between the non-resonant Thomson scattering and the resonant magnetic scattering, combined with the spectral function obtained from x-ray magnetic circular dichroism, it is shown that the AFM moment of Sm prefers to be parallel to the field ($m_{\text{AF}} \parallel H$), gi…
We have used neutron powder diffraction to solve the magnetic structure of orthorhombic CoTi$_2$O$_5$, showing that the long-range ordered state below 26 K identified in our muon-spin rotation experiments is antiferromagnetic with propagation vector ${\bf k}=(\pm \frac{1}{2}, \frac{1}{2}, 0)$ and moment of 2.72(1)$μ_{\rm B}$ per Co$^{2+}$ ion. This long range magnetic order is incompatible with the experimentally determined crystal structure because the imposed symmetry completely frustrates the exchange coupling. We conclude that the magnetic transition must therefore be associated with a spi…
We report the low-temperature properties of phase-pure single crystals of the half-Heusler compound CuMnSb grown by means of optical float-zoning. The magnetization, specific heat, electrical resistivity, and Hall effect of our single crystals exhibit an antiferromagnetic transition at $T_{\mathrm{N}} = 55~\mathrm{K}$ and a second anomaly at a temperature $T^{*} \approx 34~\mathrm{K}$. Powder and single-crystal neutron diffraction establish an ordered magnetic moment of $(3.9\pm0.1)~μ_{\mathrm{B}}/\mathrm{f.u.}$, consistent with the effective moment inferred from the Curie-Weiss dependence of …
We studied the magnetic ordering of thin films and bulk crystals of rutile RuO$_2$ using resonant X-ray scattering across the Ru L$_2$ absorption edge. Combining polarization analysis and azimuthal-angle dependence of the magnetic Bragg signal, we have established the presence of G-type antiferromagnetism in RuO$_2$ with T$_N$ $>$ 300 K. In addition to revealing a spin-ordered ground state in the simplest ruthenium oxide compound, the persistence of magnetic order even in nanometer-thick films lays the ground for potential applications of RuO$_2$ in antiferromagnetic spintronics.
We study the temperature dependence of the optical conductivity of rare-earth nickelate films of varying composition and strain close to the antiferromagnetic ordering temperature, TN. Two prominent peaks at 0.6 and 1.3 eV, which are characteristic of the insulating phase, display a small but significant increase in intensity when the material passes from para- to antiferromagnetic. This observation indicates the presence of a positive feedback between antiferromagnetic (AF) and bond disproportionation (BD) order. By analyzing the temperature dependence near TN, and using a Landau-type free-en…
We report results from neutron scattering experiments on single crystals of YbBiPt that demonstrate antiferromagnetic order characterized by a propagation vector, $τ_{\rm{AFM}}$ = ($\frac{1}{2} \frac{1}{2} \frac{1}{2}$), and ordered moments that align along the [1 1 1] direction of the cubic unit cell. We describe the scattering in terms of a two-Gaussian peak fit, which consists of a narrower component that appears below $T_{\rm{N}}~\approx 0.4$ K and corresponds to a magnetic correlation length of $ξ_{\rm{n}} \approx$ 80 $\rmÅ$, and a broad component that persists up to $T^*\approx$ 0.7 K an…
A-site ordered perovskites, CaCu$_3$B$_4$O$_{12}$, which are derivatives of conventional ABO$_3$ perovskites, exhibit varying electronic and magnetic properties. With the objective of examining the role of Cu in this work, we have studied CaCu$_3$Ti$_4$O$_{12}$ and CaCu$_3$Zr$_4$O$_{12}$ and presented the cause of the crystallization of A-site ordered perovskite from conventional ABO$_3$ perovskite and the underlying mechanism leading to the stabilization of non-trivial and experimentally estabilished G-type antiferromagnetic (G-AFM) ordering in these systems. The first-principles electronic s…
Spin wave excitations and stability of the (0,pi) ordered SDW state are investigated within the minimal two-band model for iron pnictides including a Hund's coupling term. The SDW state is shown to be stable in two distinct doping regimes --- finite hole doping in the lower SDW band for small second neighbour hoppings, and small electron doping in the upper SDW band for comparable first and second neighbour hoppings. In both cases, Hund's coupling strongly stabilizes the SDW state due to generation of additional ferromagnetic spin couplings involving the inter-orbital part of the particle-hole…
Antiferromagnetic to ferromagnetic phase transition as a transition to partial ordered spins. Application to $La_{1-x}Ca_xMnO_3$ in the doping range $x\geq 0.50$
We have succeeded in growing single crystals of the heavy-fermion superconductor CeCo(In1-xZnx)5 with x<=0.07. Measurements of specific heat, electrical resistivity, dc magnetization and ac susceptibility revealed that the superconducting (SC) transition temperature Tc decreases from 2.25 K (x=0) to 1.8 K (x=0.05) by doping Zn into CeCoIn5. Furthermore, these measurements indicate a development of a new ordered phase below T_o ~ 2.2 K for x=>0.05, characterized by the reduced magnetization and electrical resistivity in the ordered phase, and the enhancement of specific heat at T_o. This phase …
Spin wave excitations and stability of the ($π,0$) ordered magnetic state are investigated in a minimal two-band itinerant-electron model for iron pnictides. Presence of hopping anisotropy generates a strong ferro-orbital order in the $d_{xz}$ and $d_{yz}$ Fe orbitals. The orbital order sign is as observed in experiments. The induced ferro-orbital order strongly enhances the spin wave energy scale and stabilizes the magnetic state by optimizing the strength of the emergent AF and F spin couplings through optimal band fillings in the two orbitals. The calculated spin-wave dispersion is in quant…
Probing phase coexistence and stabilization of the spin-ordered ferrimagnetic state by Calcium addition in the YBa_{1-x}Ca_{x}Co_{2}O_{5.5} layered cobaltites using neutron diffraction
Over the past two decades, the magnetic ground states of all rare earth titanate pyrochlores have been extensively studied, with the exception of Sm$_2$Ti$_2$O$_7$. This is, in large part, due to the very high absorption cross-section of naturally-occurring samarium, which renders neutron scattering infeasible. To combat this, we have grown a large, isotopically-enriched single crystal of Sm$_2$Ti$_2$O$_7$. Using inelastic neutron scattering, we determine that the crystal field ground state for Sm$^{3+}$ is a dipolar-octupolar doublet with Ising anisotropy. Neutron diffraction experiments reve…
Induced-Moment Weak Antiferromagnetism and Orbital Order on the Itinerant-Localized Duality Model with Nested Fermi Surface: A Possible Origin of Exotic Magnetism in URu${}_{2}$Si$_{2}$
本文在考虑了巡游费米子和自旋自由度“定域”分量的对偶模型基础上，讨论了URu ${}_{2}$ Si ${}_{2}$的弱反铁磁性。采用单重态-单重态晶场方案，结合巡游费米子部分费米面的嵌套性质，在诱导矩机制框架下分析了该问题。结果表明，${\cal O}$的极小有序矩$m$（$10^{-2}$ $\times$ $μ_{B}$）与相变温度下的大比热跃变$T_{N}$是相容的.在外部磁场的存在下进行的分析表明，在极限T \to 0和T_{N} $的$m$的场依赖性不缩放，除了非常接近临界场B，这与Mentink最近的观察是一致的。反铁磁序引起f电子的反铁磁轨道序。
Field-rigid Ising antiferromagnetism with giant spin-flip fields in Van der Waals UOTe
Washington University in St. Louis（圣路易斯华盛顿大学）；National High Magnetic Field Laboratory, Los Alamos National Laboratory（洛斯阿拉莫斯国家实验室国家高磁场实验室）；Neutron Scattering Division, Oak Ridge National Laboratory（橡树岭国家实验室中子散射部）；Harvard University（哈佛大学）；National High Magnetic Field Laboratory, Florida State University（佛罗里达州立大学国家高磁场实验室）
Photoinduced melting of horizontal-stripe charge orders in quasi-two-dimensional organic conductors θ-(BEDT-TTF)2RbZn(SCN)4[BEDT-TTF=bis(ethylenedithio)tetrathiafulvalene] and α-(BEDT-TTF)2I3 is investigated theoretically. By numerically solving the time-dependent Schrödinger equation, we study the photoinduced dynamics in extended Peierls-Hubbard models on anisotropic triangular lattices within the Hartree-Fock approximation. The melting of the charge order needs more energy for θ-(BEDT-TTF)2RbZn(SCN)4 than for α-(BEDT-TTF)2I3, which is a consequence of the larger stabilization energy in θ-(B…
By performing first-principles electronic structure calculations and analyzing effective magnetic model of alkali-doped iron selenides, we show that the materials without iron vacancies should approach a novel checkerboard phase in which each four Fe sites group together in tetragonal structure. The checkerboard phase is the ground state with a block antiferromagnetic (AFM) order and a small charge density wave order in the absence of superconductivity. Both of them can also coexist with superconductivity. The results explain mysterious $2\times 2$ ordered patterns and hidden orders observed i…
We study the quantum many-body ground states of electrons on the half-filled honeycomb lattice with short- and long-ranged density-density interactions as a model for graphene. To this end, we employ the recently developed truncated-unity functional renormalization group (TU-fRG) approach which allows for a high resolution of the interaction vertex' wavevector dependence. We connect to previous lattice quantum Monte Carlo (QMC) results which predict a stabilization of the semimetallic phase for realistic \emph{ab initio} interaction parameters and confirm that the application of a finite biaxi…
Multilayered cuprates possess not only the highest superconducting temperature transition but also offer a unique platform to study disorder-free CuO$_2$ planes and the interplay between competing orders with superconductivity. Here, we study the underdoped trilayer cuprate HgBa$_2$Ca$_2$Cu$_3$O$_{8+ δ}$ and we report the first quantum oscillation and Hall effect measurements in magnetic field up to 88 T. A careful analysis of the complex spectra of quantum oscillations strongly supports the coexistence of an antiferromagnetic order in the inner plane and a charge order in the outer planes. Th…
We report on spherical neutron polarimetry and unpolarized neutron diffraction in zero magnetic field as well as flipping ratio and static magnetization measurements in high magnetic fields on the multiferroic square lattice antiferromagnet Ba$_2$CoGe$_2$O$_7$. We found that in zero magnetic field the magnetic space group is $Cm'm2'$ with sublattice magnetization parallel to the [100] axis of this orthorhombic setting. The spin canting has been found to be smaller than $0.2^\circ$ in the ground state. This assignment is in agreement with the field-induced changes of the magnetic domain structu…
Recently it was proposed that the orbital ordering of $π_{x,y}^*$ molecular orbitals in the superoxide CsO$_2$ compound leads to the formation of spin-1/2 chains below the structural phase transition occuring at $T_{\rm{s1}}=61$~K on cooling. Here we report a detailed X-band electron paramagnetic resonance (EPR) study of this phase in CsO$_2$ powder. The EPR signal appears as a broad line below $T_{\rm{s1}}$, which is replaced by the antiferromagnetic resonance below the Néel temperature $T_{\rm N}=8.3$~K. The temperature dependence of the EPR linewidth between $T_{\rm{s1}}$ and $T_{\rm{N}}$ a…
The crystallographic, magnetic, and transport properties of the van der Waals bonded, layered compound CrTe3 have been investigated on single crystal and polycrystalline materials. The crystal structure contains layers made up of lozenge shaped Cr_4 tetramers. Electrical resistivity measurements show the crystals to be semiconducting, with a temperature dependence consistent with a band gap of 0.3eV. The magnetic susceptibility exhibits a broad maximum near 300K characteristic of low dimensional magnetic systems. Weak anomalies are observed in the susceptibility and heat capacity near 55K, and…
We report elastic neutron scattering and transport measurements on the Ni and Cr equivalently doped iron pnictide BaFe$_{2-2x}$Ni$_{x}$Cr$_{x}$As$_{2}$. Compared with the electron-doped BaFe$_{2-x}$Ni$_{x}$As$_{2}$, the long-range antiferromagnetic (AF) order in BaFe$_{2-2x}$Ni$_{x}$Cr$_{x}$As$_{2}$ is gradually suppressed with vanishing ordered moment and Néel temperature near $x= 0.20$ without the appearance of superconductivity. A detailed analysis on the transport properties of BaFe$_{2-x}$Ni$_{x}$As and BaFe$_{2-2x}$Ni$_{x}$Cr$_{x}$As$_{2}$ suggests that the non-Fermi-liquid behavior asso…
Resonant magnetic excitations are widely recognized as hallmarks of unconventional superconductivity in copper oxides, iron pnictides, and heavy-fermion compounds. Numerous model calculations have related these modes to the microscopic properties of the pair wave function, but the mechanisms underlying their formation are still debated. Here we report the discovery of a similar resonant mode in the non-superconducting, antiferromagnetically ordered heavy-fermion metal CeB6. Unlike conventional magnons, the mode is non-dispersive, and its intensity is sharply concentrated around a wave vector s…
Structural phase transition studies employing low-temperature transmission electron microscopy, and low-temperature x-ray diffraction have been carried out on nearly stoichiometric (δ=0.01) and off-stoichiometric (δ=0.12) versions of La0.2Sr0.8MnO3-δ manganite. The nearly stoichiometric La0.2Sr0.8MnO3-δ under goes a cubic to Jahn-Teller distorted C-type antiferromagnetic tetragonal phase-transition at 260K. For off-stoichiometric La0.2Sr0.8MnO3-δ the Jahn-Teller distorted tetragonal phase transition gets totally suppressed and the basic perovskite lattice remains cubic but shows a charge order…
Barlowite Cu$_4$(OH)$_6$FBr shows three-dimensional (3D) long-range antiferromagnetism, which is fully suppressed in Cu$_3$Zn(OH)$_6$FBr with a kagome quantum spin liquid ground state. Here we report systematic studies on the evolution of magnetism in the Cu$_{4-x}$Zn$_x$(OH)$_{6}$FBr system as a function of $x$ to bridge the two limits of Cu$_4$(OH)$_6$FBr ($x$=0) and Cu$_3$Zn(OH)$_6$FBr ($x$=1). Neutron-diffraction measurements reveal a hexagonal-to-orthorhombic structural change with decreasing temperature in the $x$ = 0 sample. While confirming the 3D antiferromagnetic nature of low-temper…
A novel magnetic ground state is reported for the Hubbard Hamiltonian in strained graphene. When the chemical potential lies close to the Dirac point, the ground state exhibits locally both the Néel and ferromagnetic orders, even for weak Hubbard interaction. Whereas the Néel order parameter remains of the same sign in the entire system, the magnetization at the boundary takes the opposite sign from the bulk. The total magnetization this way vanishes, and the magnetic ground state is globally only an antiferromagnet. This peculiar ordering stems from the nature of the strain-induced single par…
We numerically compute the density of states (DOS) of interacting disordered zigzag graphene nanoribbon (ZGNR) having midgap states showing $e/2$ fractional edge charges. The computed Hartree-Fock DOS is linear at the critical disorder strength where the gap vanishes. This implies an $I\mbox{-}V$ curve of $I\propto V^2$. Thus, $I\mbox{-}V$ curve measurement may yield evidence of fractional charges in interacting disordered ZGNR. We show that even a weak disorder potential acts as a singular perturbation on zigzag edge electronic states, producing drastic changes in the energy spectrum. Spin-ch…
We study the Holstein-Hubbard model at half filling to explore ordered phases including su- perconductivity (SC), antiferromagnetism (AF), and charge order (CO) in situations where the electron-electron and electron-phonon interactions are strong (~ electronic bandwidth). The model is solved in the dynamical mean-field approximation using a continuous-time quantum Monte Carlo impurity solver. We determine the superconducting transition temperature (Tc) and the SC order parameter and show that the phonon-induced retardation or the strong Coulomb interaction leads to a significant reduction and …
We obtain the conditions necessary for the emergence of various low temperature ordered states (local moment antiferromagnetism, unconventional superconductivity, quantum criticality, and Landau Fermi liquid behavior) in Kondo lattice materials by extending the two-fluid phenomenological theory of heavy electron behavior to incorporate the concept of hybridization effectiveness. We use this expanded framework to present a new phase digram and consistent physical explanation and quantitative description of measured emergent behaviors such as the pressure variation of the onset of local moment a…
We report an analysis of neutron diffraction from single crystals of the spin-liquid pyrochlore Tb2Ti2O7 under the application of magnetic fields along the crystallographic $[110]$ direction. Such a perturbation has been shown to destroy the spin liquid ground state and induce long-range order, although the nature of the ordered state was not immediately determined. Recently, it has been proposed that the ordered state is characterized by spin-ice-like correlations, evincing an emergent ferromagnetic tendency in this material despite the large negative Curie-Weiss constant. Here, we argue inst…
