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Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

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At least 991 records · Page 55
All sourcesNASA NTRSDOE OSTI
DOE OSTI2019

Weak exchange striction between the 4 f and 3 d ions in the multiferroic GdMn 2 O 5

We used single-crystal neutron diffraction to investigate the magnetic structures of the multiferroic GdMn 2 O 5 . The system undergoes a first-order incommensurate to commensurate magnetic transition below 33 K, accompanied by the appearance of electric polarization P . Upon cooling, P increases smoothly while the magnetic order shows an abrupt enhancement in intensity below 20 K owing to the large increase of the rare-earth Gd moment. The contrasting temperature evolution of the magnetic order and polarization indicates the polarization is mainly driven by the exchange striction between the magnetic Mn ions. The incommensurate phase in the intermediate temperature range has a cycloidal modulation along the c axis, with spin configuration projected in the ab plane similar to the commensurate phase. The lack of observable bulk polarization suggests the exchange striction is not the dominant mechanism for the polarization in the incommensurate phase.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2019

Dzyaloshinskii-Moriya interaction and the magnetic ground state in magnetoelectric LiCoPO 4

Magnetic structures are investigated by means of neutron diffraction to shine light on the intricate details which are believed key to understanding the magnetoelectric effect in LiCoPO 4 . At zero field, a spontaneous spin canting of φ = 7(1)° is found. The spins tilt away from the easy b-axis towards c. Symmetry considerations lead to the magnetic point group m$'\atop{z}$ which is consistent with the previously observed magnetoelectric tensor form and weak ferromagnetic moment along b. For magnetic fields applied along a, the induced ferromagnetic moment couples via the Dzyaloshinskii- Moriya interaction to yield an additional field-induced spin canting. An upper limit to the size of the interaction is estimated from the canting angle.

36 MATERIALS SCIENCE↗
DOE OSTI2019

Evidence of long-range ferromagnetic order and spin frustration effects in the double perovskite La 2 CoMnO 6

We present a comprehensive study on the magnetic structure, dynamics, and phase evolution in the single phase double perovskite La 2 CoMnO 6 . The mixed valence state due to oxygen deficiency is verified by x-ray photoelectron spectroscopy and confirms a double ferromagnetic transition observed in dc magnetization. Neutron diffraction reveals that the magnetic structure is dominated by long-range ferromagnetic ordering, which is further corroborated by a critical exponents analysis of the paramagnetic to ferromagnetic phase transition. An analysis of the magnetization dynamics by means of linear and nonlinear ac magnetic susceptibilities marks the presence of two distinct cluster-glass-like states that emerge at low temperatures. The isothermal entropy change as a function of temperature and magnetic field (H) is exploited to investigate the mechanism of stabilization of the magnetic phases across the H – T phase diagram. In the regime of the phase diagram where thermal energy is sufficiently low, regions of competing interactions due to local disorder become stabilized and display glasslike dynamics. The freezing mechanism of clusters is illustrated using a unique probe of transverse susceptibility that isolates the effects of the local anisotropy of the spin clusters. Here, the results are summarized in a H – T phase diagram of La 2 CoMnO 6 from these data.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2019

Emergence of topologically protected states in the MoTe 2 Weyl semimetal with layer-stacking order

Electronic tunability in crystals with weakly bound layers can be achieved through layer stacking order. One such example is MoTe 2 , where the low-temperature orthorhombic T d phase is topological and host to Weyl quasiparticles. The transition mechanism to the nontrivial topology is elucidated by single-crystal neutron diffraction. Upon cooling from the monoclinic 1 T' to the T d phase, diffuse scattering accompanies the transition, arising from random, in-plane layer displacements, and dissipates upon entering the T d phase. Here, diffuse scattering is observed only in the H0L plane due to irreversible layer shifts along the c axis that break the centrosymmetry of the monoclinic lattice.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2019

Local trigonal modes and the suppression of the charge density wave in TiSe 2 - x Te x

The composition dependence of the charge density wave (CDW) state is investigated in a solid solution of 1T-TiSe 2–x Te 2 using neutron scattering and a pair density function analysis. It is observed that the CDW order is quickly suppressed with doping, between 0.2≤x≤0.25. The suppression of the CDW is coupled with a change in the local symmetry from hexagonal to monoclinic. In the monoclinic, high-temperature phase, a Jahn-Teller (JT) distortion is observed between Ti and Se bonds that is suppressed with Te doping. Furthermore, these observations favor a CDW that is driven by a cooperative JT effect, as Ti-Se bond shortening is crucial to CDW formation and excess chalcogen to Ti charge transfer inhibits the JT mechanism.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2019

Two-dimensional ordering and collective magnetic excitations in the dilute ferromagnetic topological insulator ( Bi 0.95 Mn 0.05 ) 2 Te 3

Employing elastic and inelastic neutron scattering (INS) techniques, we introduce the microscopic properties of the ferromagnetism in the dilute magnetic topological insulator ( Bi 0.95 Mn 0.05 ) 2 Te 3 . Neutron diffraction of polycrystalline samples shows the ferromagnetic (FM) ordering is long range within the basal plane, and mainly two dimensional (2D) in character with short-range correlations between layers below T C ≈ 13 K. Remarkably, we observe gapped and collective magnetic excitations in this dilute magnetic system. The excitations appear typical of quasi-2D FM systems despite the severe broadening of short-wavelength magnons which is expected from the random spatial distribution of Mn atoms in the Bi planes. A detailed investigation of the INS provides the average values for exchange couplings which are consistent with reports of carrier-mediated interactions.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2020

Origin of liquid fragility

Liquid fragility characterizes how steeply the viscosity of a glass-forming liquid decreases with increasing temperature above the glass transition. It is one of the most fundamental properties of a liquid, with high importance for science and application. Yet, its origin is unclear. Here we show that it is directly related to the structural coherence of the medium-range order (MRO) in liquid defined by the decay of the pair-distribution function with distance. The MRO can also be evaluated from the first peak of the structure function determined by x-ray or neutron diffraction, and it is a measure of the cooperativity of atomic motion in a diffusive event in supercooled liquids. These findings shed light on the mechanism of atomic transport in supercooled liquids.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2018

From Ising Resonant Fluctuations to Static Uniaxial Order in Antiferromagnetic and Weakly Superconducting CeCo ( In 1 - x Hg x ) 5 ( x = 0.01 )

CeCo (In 0.990 Hg 0.010 ) 5 is a charge doped variant of the d-wave CoCoIn 5 superconductor with coexistent antiferromagnetic and superconducting transitions occurring at T N = 3.4 and T c = 1.4 K, respectively. We use neutron diffraction and spectroscopy to show that the magnetic resonant fluctuations present in the parent superconducting phase are replaced by collinear c -axis magnetic order with three-dimensional Ising critical fluctuations. No low-energy transverse spin fluctuations are observable in this doping-induced antiferromagnetic phase and the dynamic resonant spectral weight predominately shifts to the elastic channel. Static (τ > 0.2 ns) collinear Ising order is proximate to superconductivity in CeCoIn 5 and is stabilized through hole doping with Hg.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2018

Frustrated Structural Instability in Superconducting Quasi-One-Dimensional K 2 Cr 3 As 3

We present density functional theory and neutron total scattering studies on quasi-one-dimensional superconducting K 2 Cr 3 As 3 revealing a frustrated structural instability. Our first principles calculations find a significant phonon instability, which, under energy minimization, corresponds to a frustrated orthorhombic distortion. In neutron diffraction studies we find large atomic displacement parameters with anomalous temperature dependencies, which result from highly localized orthorhombic distortions of the CrAs sublattice and coupled K displacements. Furthermore, these results suggest a more complex phase diagram than previously assumed for K 2 Cr 3 As 3 with subtle interplays of structure, electron-phonon, and magnetic interactions.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2019

Magnetic-Competition-Induced Colossal Magnetoresistance in $n$-Type $\mathrm{HgCr_2Se_4}$ Under High Pressure

The $n$-type HgCr 2 $\mathrm{Se_4}$ exhibits a sharp semiconductor-to-metal transition (SMT) in resistivity accompanying the ferromagnetic order at ${T_C}$ = 106 K . Here, we investigate the effects of pressure and magnetic field on the concomitant SMT and ferromagnetic order by measuring resistivity, dc and ac magnetic susceptibility, as well as single-crystal neutron diffraction under various pressures up to 8 GPa and magnetic fields up to 8 T. Our results demonstrate that the ferromagnetic metallic ground state of $n$-type HgCr 2 $\mathrm{Se_4}$ is destabilized and gradually replaced by an antiferromagnetic, most likely a spiral magnetic, and insulating ground state upon the application of high pressure. On the other hand, the application of external magnetic fields can restore the ferromagnetic metallic state again at high pressures, resulting in a colossal magnetoresistance (CMR) as high as $\mathrm{~ 3 × 10^{11}}$% under 5 T and 2 K at 4 GPa. The present study demonstrates that $n$-type HgCr 2 $\mathrm{Se_4}$ is located at a peculiar critical point where the balance of competition between ferromagnetic and antiferromagnetic interactions can be easily tipped by external stimuli, providing a new platform for achieving CMR in a single-valent system.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2020

Interplay of the Spin Density Wave and a Possible Fulde-Ferrell-Larkin-Ovchinnikov State in CeCoIn 5 in Rotating Magnetic Field

The d-wave superconductor CeCoIn 5 has been proposed as a strong candidate for supporting the Fulde-Ferrell-Larkin-Ovchinnikov (FFLO) state near the low-temperature boundary of its upper critical field. Neutron diffraction, however, finds spin-density-wave (SDW) order in this part of the phase diagram for field in the a-b plane, and evidence for the SDW disappears as the applied field is rotated toward the tetragonal c axis. It is important to understand the interplay between the SDW and a possible FFLO state in CeCoIn 5 , as the mere existence of an SDW does not necessarily exclude an FFLO state. In this work, based on a model constructed on the basis of available experiments, we show that an FFLO state competes with an SDW phase. The SDW state in CeCoIn 5 is stabilized when the field is directed close to the a-b plane. When the field is rotated toward the c axis, the FFLO state emerges, and the SDW phase disappears. In the FFLO state, the nodal planes with extra quasiparticles (where the superconducting order parameter is zero) are perpendicular to the field, and in the SDW phase, the quasiparticle density of states is reduced. We test this model prediction by measuring heat transported by normal quasiparticles in the superconducting state. As a function of field, we observe a reduction of thermal conductivity for field close to the a-b plane and an enhancement of thermal conductivity when field is close to the c axis, consistent with theoretical expectations. Our modeling and experiments, therefore, indicate the existence of the FFLO state when field is parallel to the c axis.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Charge Density Wave in Kagome Lattice Intermetallic ScV 6 Sn 6

Materials hosting kagome lattices have drawn interest for the diverse magnetic and electronic states generated by geometric frustration. In the AV 3 Sb 5 compounds (A=K, Rb, Cs), stacked vanadium kagome layers give rise to unusual charge density waves (CDW) and superconductivity. In this work, we report single-crystal growth and characterization of ScV 6 Sn 6 , a hexagonal HfFe 6 Ge 6 -type compound that shares this structural motif. We identify a first-order phase transition at 92 K. Single crystal x-ray and neutron diffraction reveal a charge density wave modulation of the atomic lattice below this temperature. This is a distinctly different structural mode than that observed in the AV 3 Sb 5 compounds, but both modes have been anticipated in kagome metals. The diverse HfFe 6 Ge 6 family offers more opportunities to tune ScV 6 Sn 6 and explore density wave order in kagome lattice materials.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Evidence of Dirac Quantum Spin Liquid in YbZn 2⁢ GaO 5

The emergence of a quantum spin liquid (QSL), a state of matter that can result when electron spins are highly correlated but do not become ordered, has been the subject of a considerable body of research in condensed matter physics [1,2]. Spin liquid states have been proposed as hosts for high-temperature superconductivity [3] and can host topological properties with potential applications in quantum information science [4]. The excitations of most quantum spin liquids are not conventional spin waves but rather quasiparticles known as spinons, whose existence is well established experimentally only in one-dimensional systems; the unambiguous experimental realization of QSL behavior in higher dimensions remains challenging. Here, in this work, we investigate the novel compound $YbZn_{2}GaO_{5}$, which hosts an ideal triangular lattice of effective spin-1/2 moments with no detectable inherent chemical disorder. Thermodynamic and inelastic neutron scattering measurements performed on high-quality single crystal samples of $YbZn_{2}GaO_{5}$ exclude the possibility of long-range magnetic ordering down to 0.06 K, demonstrate a quadratic power law for the specific heat and reveal a continuum of magnetic excitations in parts of the Brillouin zone. Both low-temperature thermodynamics and inelastic neutron scattering spectra suggest that $YbZn_{2}GaO_{5}$ is a U(1) Dirac QSL with spinon excitations concentrated at certain points in the Brillouin zone. We advanced these results by performing additional specific heat measurements under finite fields, further confirming the theoretical expectations for a Dirac QSL on the triangular lattice of $YbZn_{2}GaO_{5}$.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2018

Amorphous tantala and its relationship with the molten state

The structure factors of molten Ta 2 O 5 and Nb 2 O 5 have been measured by high-energy x-ray and pulsed neutron diffraction. These are compared to transmission-mode x-ray diffraction through a self-supported 15-μm ion-beam sputtered amorphous tantala film. Atomistic models derived from the diffraction data by means of empirical potential structure refinement reveal that tantala and niobia liquids are very close to isomorphous, as confirmed by measurement of a molten mixture, Ta 0.8 Nb 1.2 O 5 . Nonetheless, peak Nb-O bond lengths are about 1% shorter than those for Ta-O, at temperatures, T*=T/T melt , scaled to the melting points. Mean coordination numbers are n MO ≃5.6(1),n OM ≃2.23(4) in the liquid state, and n TaO ≃6.6(2),n OTa ≃2.63(8) in the solid. The liquids are built from five- and six-fold M-O polyhedra which connect principally by corner sharing, with a minority of edge sharing; a-Ta 2 O 5 on the other hand has a local structure more akin to the crystalline polymorphs, built primarily from six- and seven-fold polyhedra, with a larger degree of edge sharing. The structural differences between liquid and amorphous Ta 2 O 5 , coupled with observations of increasing peak bond lengths upon cooling, are consistent with the interpretation that the amorphous film reaches a supercooled liquidlike metastable equilibrium during deposition. In other words, the amorphous film shares a common progenitor state with a hypothetical glass quenched from a fragile melt. In addition, we show that recent classical interatomic potentials do not fully reproduce the diffraction data, and infer that inclusion of attractive (non-Coulombic) Ta-Ta interactions is important, particularly for obtaining the correct degree of edge sharing, coordination numbers, and densities. In conclusion, nanoscale inhomogeneity of the amorphous film is confirmed by the observation of small-angle x-ray scattering.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2018

Impact of Sn substitution on the structure and magnetism of Sr 2 IrO 4

Here, the magnetic behavior of Sn-substituted Sr 2 IrO 4 has been examined through magnetization measurements and single-crystal neutron diffraction on Sr 2 Ir 1-x Sn x O 4 for 0.05≲x≲0.35. For all x examined, the magnetic ground state is similar to that induced in Sr 2 IrO 4 by application of a magnetic field. This magnetic state is characterized by a small net moment due to the alignment of canted moments within an otherwise antiferromagnetic structure. The weak ferromagnetic behavior is observed in the magnetization data for both unique crystallographic orientations. Diffraction data reveal an anisotropic response in the lattice parameters, with an overall lattice expansion, as well as a small reduction in the rotation of the IrO 6 octahedra. Lastly, the magnetic ordering temperature is continually suppressed with increasing x, and long-range magnetic order persists to the highest Sn concentrations synthesized.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2019

Crystal growth and magnetic structure of MnBi 2 Te 4

Millimeter-sized MnBi 2 Te 4 single crystals are grown out of a Bi-Te flux and characterized using magnetic, transport, scanning tunneling microscopy, and spectroscopy measurements. The magnetic structure of MnBi 2 Te 4 below T N is determined by powder and single-crystal neutron diffraction measurements. Below T N = 24 K, Mn 2+ moments order ferromagnetically in the ab plane but antiferromagnetically along the crystallographic c axis. The ordered moment is 4.04(13)μ B /Mn at 10 K and aligned along the crystallographic c axis in an A-type antiferromagnetic order. Below T N , the electrical resistivity drops upon cooling or when going across the metamagnetic transition in increasing magnetic fields. A critical scattering effect is observed in the vicinity of T N in the temperature dependence of thermal conductivity, indicating strong spin-lattice coupling in this compound. Yet, no anomaly is observed in the temperature dependence of thermopower around T N . Fine tuning of the magnetism and/or electronic band structure is needed for the proposed topological properties of this compound. The growth protocol reported here might be applied to grow high-quality crystals where the electronic band structure and magnetism can be finely tuned by chemical substitutions.

36 MATERIALS SCIENCE↗
DOE OSTI2019

Tunable multiferroic order parameters in S r 1 - x B a x M n 1 - y T i y O 3

Responding to the rapidly increasing demand for efficient energy usage and increased speed and functionality of electronic and spintronic devices, multiferroic oxides have recently emerged as key materials capable of tackling this multifaceted challenge. In this paper, we describe the development of single-site manganese-based multiferroic perovskite materials with modest amounts of nonmagnetic Ti substituted at the magnetic Mn site in Sr 1-x Ba x Mn 1-y Ti y O 3 (SBMTO). Significantly enhanced properties were achieved with ferroelectric-type structural transition temperatures boosted to ~430 K. Ferroelectric distortions with large spontaneous polarization values of ~30 mu C cm 2 , derived from a point charge model, are similar in magnitude to those of the prototypical nonmagnetic BaTiO 3 . Temperature dependence of the system's properties was investigated by synchrotron x-ray powder diffraction and neutron powder diffraction at ambient and high pressures. Various relationships were determined between the structural and magnetic properties, Ba and Ti contents, and T N and T C . Most importantly, our results demonstrate the large coupling between the magnetic and ferroelectric order parameters and the wide tunability of this coupling by slight variations of the material's stoichiometry.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2020

Observation of a C -type short-range antiferromagnetic order in layer spacing expanded FeS

Here, we report neutron diffraction studies of FeS single crystals obtained from Rb x Fe 2-y S 2 single crystals via a hydrothermal method. While no $\sqrt{5}$×$\sqrt{5}$ iron vacancy order or block antiferromagnetic order typical of Rb x Fe 2-y S 2 is found in our samples, we observe C-type short-range antiferromagnetic order with moments pointed along the c axis hosted by a different phase of FeS with an expanded interlayer spacing. The Néel temperature for this magnetic order is determined to be 170 ± 4 K. Our finding of a variant FeS structure hosting this C-type antiferromagnetic order demonstrates that the known FeS phase synthesized in this method is in the vicinity of a magnetically ordered ground state, providing insights into understanding a variety of phenomena observed in FeS and the related FeSe 1-x S x iron chalcogenide system.

36 MATERIALS SCIENCE↗