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At least 1,027 records · Page 57
All sourcesNASA NTRSDOE OSTI
DOE OSTI2016

Detailed magnetic and structural analysis mapping a robust magnetic C 4 dome in Sr 1 - x Na x Fe 2 As 2

The recently discovered C 4 tetragonal magnetic phase in hole-doped members of the iron-based superconductors provides new insights into the origin of unconventional superconductivity. Previously observed in Ba 1-x Na x Fe 2 As 2 (with A = K, Na), the C 4 magnetic phase exists within the well studied C 2 spin-density wave (SDW) dome, arising just before the complete suppression of antiferromagnetic (AFM) order but after the onset of superconductivity. Here in this paper, we present detailed x-ray and neutron diffraction studies of Sr 1-x Na x Fe 2 As 2 (0.10 ≤ x ≤ 0.60) to determine their structural evolution and the extent of the C 4 phase. Spanning Δx ~ 0.14 in composition, the C 4 phase is found to extend over a larger range of compositions, and to exhibit a significantly higher transition temperature, T r ~ 65K, than in either of the other systems in which it has been observed. The onset of this phase is seen near a composition (x~0:30) where the bonding angles of the Fe 2 As 2 layers approach the perfect 109.46° tetrahedral angle. We discuss the possible role of this return to a higher symmetry environment for the magnetic iron site in triggering the magnetic reorientation and the coupled re-entrance to the tetragonal structure. Finally, we present a new phase diagram, complete with the C 4 phase, and use its observation in a third hole-doped 122 system to suggest the universality of this phase.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2017

Phase competition and anomalous thermal evolution in high-temperature superconductors

The interplay of competing orders is relevant to high-temperature superconductivity known to emerge upon suppression of a parent antiferromagnetic order typically via charge doping. How such interplay evolves at low temperature—in particular at what doping level the zero-temperature quantum critical point (QCP) is located—is still elusive because it is masked by the superconducting state. The QCP had long been believed to follow a smooth extrapolation of the characteristic temperature T * for the strange normal state well above the superconducting transition temperature. However, recently the T * within the superconducting dome was reported to unexpectedly exhibit back-bending likely in the cuprate Bi 2 Sr 2 CaCu 2 O 8 + δ . We show that the original and revised phase diagrams can be understood in terms of weak and moderate competitions, respectively, between superconductivity and a pseudogap state such as d -density or spin-density wave, based on both Ginzburg-Landau theory and the realistic t - t ' - t ' ' - J - V model for the cuprates. We further found that the calculated temperature and doping-level dependence of the quasiparticle spectral gap and Raman response qualitatively agrees with the experiments. Particularly, the T * back-bending can provide a simple explanation of the observed anomalous two-step thermal evolution dominated by the superconducting gap and the pseudogap, respectively. These results imply that the revised phase diagram is likely to take place in high-temperature superconductors.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2018

Magnetic structure and excitation spectrum of the hyperhoneycomb Kitaev magnet β – Li 2 IrO 3

We present a theoretical study of the static and dynamical properties of the three-dimensional, hyperhoneycomb Kitaev magnet β–Li 2 IrO 3 . We argue that the observed incommensurate order can be understood in terms of a long-wavelength twisting of a nearby commensurate period-3 state, with the same key qualitatively features. The period-3 state shows very different structure when either the Kitaev interaction K or the off-diagonal exchange anisotropy Γ is dominant. A comparison of the associated static spin structure factors with reported scattering experiments in zero and finite fields gives strong evidence that β–Li 2 IrO 3 lies in the regime of dominant Kitaev coupling, and that the Heisenberg exchange J is much weaker than both K and Γ. Furthermore, our predictions for the magnon excitation spectra, the dynamical spin structure factors, and their polarization dependence provide additional distinctive fingerprints that can be checked experimentally.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2018

Field-induced magnetic phase transitions and metastable states in Tb 3 Ni

In this study we report the detailed study of magnetic phase diagrams, low-temperature magnetic structures, and the magnetic field effect on the electrical resistivity of the binary intermetallic compound ${\mathrm{Tb}}_{3}\mathrm{Ni}$. The incommensurate magnetic structure of the spin-density-wave type described with magnetic superspace group $P{112}_{1}/a{1}^{{'}}(ab0)0ss$ and propagation vector ${\mathbf{k}}_{\mathrm{IC}}=\left[0.506,0.299,0\right]$ was found to emerge just below Néel temperature ${T}_{\mathrm{N}}=61$ K. Further cooling below 58 K results in the appearance of multicomponent magnetic states: (i) a combination of ${\mathbf{k}}_{1}=\left[\frac{1}{2},\frac{1}{2},0\right]$ and ${\mathbf{k}}_{\mathrm{IC}}$ in the temperature range 51 < T < 58 K; (ii) a mixed magnetic state of ${\mathbf{k}}_{\mathrm{IC}}, {\mathbf{k}}_{1}$, and ${\mathbf{k}}_{2}=\left[\frac{1}{2},\frac{1}{4},0\right]$ with the partially locked-in incommensurate component in the temperature range 48 < T < 51 K; and (iii) a low-temperature magnetic structure that is described by the intersection of two isotropy subgroups associated with the irreducible representations of two coupled primary order parameters (OPs) ${\mathbf{k}}_{2}=\left[\frac{1}{2},\frac{1}{4},0\right]$ and ${\mathbf{k}}_{3}=\left[\frac{1}{2},\frac{1}{3},0\right]$ and involves irreducible representations of the secondary OPs ${\mathbf{k}}_{1}=\left[\frac{1}{2},\frac{1}{2},0\right]$ and ${\mathbf{k}}_{4}=\left[\frac{1}{2},0,0\right]$ below 48 K. An external magnetic field suppresses the complex low-temperature antiferromagnetic states and induces metamagnetic transitions towards a forced ferromagnetic state that are accompanied by a substantial magnetoresistance effect due to the magnetic superzone effect. Finally, the forced ferromagnetic state induced after application of an external magnetic field along the $b$ and $c$ crystallographic axes was found to be irreversible below 3 and 8 K, respectively.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2018

Splitting of charge-density and spin-density excitations of a bipolar plasma in a frequency shifter of mixed type-I and type-II quantum wells

Here, the Raman frequency of the intersubband charge-density excitation plasmon in type-I and type-II quantum wells is known to be very sensitively controlled via a low-power optical pump signal. We find that, above a threshold electron density of approximately 4 ± 2 × 10 10 cm –2 , the charge density plasmon mode splits first into two, and then with increasing density into three closely spaced frequencies. A similar splitting occurs in the spin-density wave plasmon associated with the same intersubband transition. We analyze the results including the coupling to the longitudinal optical phonon and hypothesize that the splittings arise from the special situation of a structure of spatially separated bipolar plasmons.

36 MATERIALS SCIENCE↗
DOE OSTI2018

Fermi surface reconstruction and dimensional topology change in Nd-doped CeCoIn 5

In this study, we performed low-temperature de Haas–van Alphen effect measurements on a Ce 1-x Nd x CoIn 5 series, for x = 0.02 , 0.05, 0.1, and 1, down to T = 40 mK using torque magnetometry in magnetic fields up to 35 T. Our results indicate that a Fermi surface (FS) reconstruction occurs from a quasi-two-dimensional topology for Nd-2% to a rather three-dimensional one for Nd-5% , thus reducing the possibility of perfect FS nesting. The FS evolves further with increasing Nd content with no observed divergence of the effective mass between Nd-2% and 10%, consistent with the crossing of a spin density wave type of quantum critical point. Lastly, our results elucidate the origin of the Q phase observed at the 5% Nd-doping level [Raymond et al., J. Phys. Soc. Jpn. 83, 013707 (2014)].

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2019

Magnetic interactions in BiFeO 3 : A first-principles study

First-principles calculations, in combination with the four-state energy mapping method, are performed to extract the magnetic interaction parameters of multiferroic BiFeO 3 . Such parameters include the symmetric exchange (SE) couplings and the Dzyaloshinskii-Moriya (DM) interactions up to second-nearest neighbors, as well as the single-ion anisotropy (SIA). Here, all magnetic parameters are obtained not only for the R3c structural ground state, but also for the R3m and R¯3c phases in order to determine the effects of ferroelectricity and antiferrodistortion distortions, respectively, on these magnetic parameters. In particular, two different second-nearest-neighbor couplings are identified and their origins are discussed in details. Moreover, Monte Carlo (MC) simulations using a magnetic Hamiltonian incorporating these first-principles-derived interaction parameters are further performed. They result (i) not only in the accurate prediction of the spin-canted G-type antiferromagnetic structure and of the known magnetic cycloid propagating along a < 1¯10 > direction, as well as their unusual characteristics (such as a weak magnetization and spin-density-waves, respectively), (ii) but also in the finding of another cycloidal state of low-energy and that awaits to be experimentally confirmed. Turning on and off the different magnetic interaction parameters in the MC simulations also reveal the precise role of each of them on magnetism.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2017

Calorimetric Measurements of Magnetic-Field-Induced Inhomogeneous Superconductivity Above the Paramagnetic Limit

We report the first magnetocaloric and calorimetric observations of a magnetic-field-induced phase transition within a superconducting state to the long-sought exotic Fulde-Ferrell-Larkin-Ovchinnikov (FFLO) superconducting state, first predicted over 50 years ago. Through the combination of bulk thermodynamic calorimetric and magnetocaloric measurements in the organic superconductor. kappa-(BEDT-TTF)(2) Cu(NCS)(2) as a function of temperature, magnetic field strength, and magnetic field orientation, we establish for the first time that this field-induced first-order phase transition at the paramagnetic limit Hp is a transition to a higher-entropy superconducting phase, uniquely characteristic of the FFLO state. We also establish that this high-field superconducting state displays the bulk paramagnetic ordering of spin domains required of the FFLO state. These results rule out the alternate possibility of spin-density wave ordering in the high-field superconducting phase. The phase diagram determined from our measurements-including the observation of a phase transition into the FFLO phase at Hp-is in good agreement with recent NMR results and our own earlier tunnel-diode magnetic penetration depth experiments but is in disagreement with the only previous calorimetric report.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2022

Quantum Phases of Transition Metal Dichalcogenide Moiré Systems

Moiré systems provide a rich platform for studies of strong correlation physics. Recent experiments on heterobilayer transition metal dichalcogenide Moiré systems are exciting in that they manifest a relatively simple model system of an extended Hubbard model on a triangular lattice. Inspired by the prospect of the hetero-transition metal dichalcogenide Moiré system’s potential as a solid-state-based quantum simulator, we explore the extended Hubbard model on the triangular lattice using the density matrix renormalization group. Specifically, we explore the two-dimensional phase space spanned by the key tuning parameters in the extended Hubbard model, namely, the kinetic energy strength and the further-range Coulomb interaction strengths. We find competition between Fermi fluid, chiral spin liquid, spin density wave, and charge order. In particular, our finding of the optimal further-range interaction for the chiral correlation presents a tantalizing possibility.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2022

Orbital Angular Momentum of Magnons in Collinear Magnets

We study the orbital angular momentum of magnons for collinear ferromagnet (FM) and antiferromagnetic (AF) systems with nontrivial networks of exchange interactions. The orbital angular momentum of magnons for AF and FM zigzag and honeycomb lattices becomes nonzero when the lattice contains two inequivalent sites and is largest at the avoided-crossing points or extremum of the frequency bands. Hence, the arrangement of exchange interactions may play a more important role at producing the orbital angular momentum of magnons than the spin-orbit coupling energy and the resulting noncollinear arrangement of spins.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2018

Lack of superconductivity in the phase diagram of single-crystalline Eu ( F e 1 - x C o x ) 2 A s 2 grown by transition metal arsenide flux

Here, the interplay of magnetism and superconductivity (SC) has been a focus of interest in condensed matter physics for decades. EuFe 2 As 2 has been identified as a potential platform to investigate interactions between structural, magnetic, and electronic effects as well as the coexistence of magnetism and SC with similar transition temperatures. However, there are obvious inconsistencies in the reported phase diagrams of Eu(Fe 1–x Co x ) 2 As 2 crystals grown by different methods. For transition metal arsenide (TMA)-flux-grown crystals, even the existence of SC is uncertain. Here we reexamine the phase diagram of single-crystalline Eu(Fe 1–x Co x ) 2 As 2 grown by TMA flux. We found that the lattice parameter c shrinks linearly with Co doping, almost twice as fast as that of the tin-flux-grown crystals. With Co doping, the spin-density-wave (SDW) order of the Fe sublattice is quickly suppressed, being detected only up to x=0.08. The magnetic ordering temperature of the Eu 2+ sublattice ( T Eu ) shows a systematic evolution with Co doping, first going down and reaching a minimum at x=0.08, then increasing continuously up to x=0.24. Over the whole composition range investigated, no signature of SC is observed above 1.8 K.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Evolution of noncollinear magnetism in magnetocaloric MnPtGa

MnPtGa crystallizes in the hexagonal Ni 2 In structure type in space group P6 3 /mmc and has been reported to display a ferromagnetic Curie temperature near 220K. Here we find a transition near T c = 236 K to a ferromagnetic state, albeit with a reduced moment from what is expected for collinear ordering. The peak magnetocaloric entropy change was determined to be ΔS M = –1.9 J kg –1 K –1 for an applied magnetic field of H = 5 T at the ferromagnetic ordering temperature. Magnetostructural coupling manifests as a change in the slope of the thermal expansion coefficients of the c lattice parameter near T c , with a negative spontaneous volume magnetostriction; ω = –300 ppm at 190K. In this work, neutron powder diffraction studies of the magnetic ground state reveal an evolution in complexity as temperature decreases: from a ferromagnet, to a canted antiferromagnet, to the eventual formation of a spin-density-wave state at low temperatures.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Renormalized classical theory of quantum magnets

Here, we derive a renormalized classical spin (RCS) theory for 𝑆 >1/2 quantum magnets by constraining a generalized classical theory that includes all multipolar fluctuations to a reduced CP 1 phase space of dipolar SU(2) coherent states. When the spin Hamiltonian $\hat{ℋ}$(𝑆) is linear in the spin operators $\hat{𝑺}$ 𝑗 for each lattice site 𝑗, the RCS Hamiltonian $\tilde{ℋ}$ cl coincides with the usual classical model ℋ cl = lim 𝑆→∞⁡ $\hat{ℋ}$(𝑆). In the presence of nonlinear terms, however, the RCS theory is more accurate than ℋ cl . For the many materials modeled by spin Hamiltonians with (nonlinear) single-ion anisotropy terms, the use of the RCS theory is essential to accurately model phase diagrams and to extract the correct Hamiltonian parameters from neutron-scattering data.

magnetic anisotropy↗
DOE OSTI2017

Mössbauer study of the modulated magnetic structure of FeVO{sub 4}

Mössbauer spectroscopy is used to study the FeVO{sub 4} multiferroic, which undergoes two magnetic phase transitions at T{sub N1} ≈ 22 K and T{sub N2} ≈ 15 K. The first transition (T{sub N1}) is related to transformation from a paramagnetic state into a magnetically ordered state of a spin density wave, and the second transition (T{sub N2}) is associated with a change in the type of the spatial magnetic structure of the vanadate. The electric field gradient tensor at {sup 57}Fe nuclei is calculated to perform a crystal-chemical identification of the partial Mössbauer spectra corresponding to various crystallographic positions of Fe{sup 3+} cations. The spectra measured in the range T{sub N2} < T < T{sub N1} are analyzed on the assumption about amplitude modulation of the magnetic moments of iron atoms μ{sub Fe}. The results of model intersection of the spectra recorded at T < T{sub N2} point to a high degree of anharmonicity of the helicoidal magnetic structure of the vanadate and to elliptic polarization of μ{sub Fe}. These features are characteristic of type-II multiferroics. The temperature dependences of the hyperfine interaction parameters of {sup 57}Fe nuclei that were obtained in this work are analyzed in terms of the Weiss molecular field model on the assumption of orbital contribution to the magnetic moments of iron cations.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗