arXiv subjects

David S. Parker

Publications and source records attributed to David S. Parker.

At least 19 recordsLinked to original sources

arXiv2025

Spin density wave and van Hove singularity in the kagome metal CeTi3Bi4

Kagome metals with van Hove singularities near the Fermi level can host intriguing quantum phenomena such as chiral loop currents, electronic nematicity, and unconventional superconductivity. However, to our best knowledge, unconventional magnetic states driven by van Hove singularities--like spin-density waves--have not been observed experimentally in kagome metals. Here, we report the magnetic and electronic structure of the layered kagome metal CeTi3Bi4, where Ti kagome electronic structure interacts with a magnetic sublattice of Ce3+ Jeff = 1/2 moments. Neutron diffraction reveals an incommensurate spin-density wave ground state of the Ce3+ moments, coexisting with commensurate antiferromagnetic order across most of the temperature-field phase diagram. The commensurate component is preferentially suppressed by thermal fluctuations and magnetic field, yielding a rich phase diagram involving an intermediate single-Q spin-density wave phase. First-principles calculations and angle-resolved photoemission spectroscopy identify van Hove singularities near the Fermi level, with the observed magnetic propagation vectors connecting their high density of states, strongly suggesting a van Hove singularity-assisted spin-density wave. These findings establish kagome metals LnTi3Bi4 as a model platform where the characteristic electronic structure of the kagome lattice plays a pivotal role in magnetic order.

cond-mat.str-el↗

arXiv2025

Constraints on magnetism and correlations in RuO$_2$ from lattice dynamics and Mössbauer spectroscopy

We provide experimental evidence for the absence of a magnetic moment in bulk RuO$_2$, a candidate altermagnetic material, by using a combination of Mössbauer spectroscopy, nuclear forward scattering, inelastic X-ray and neutron scattering, and density functional theory calculations. Using complementary Mössbauer and nuclear forward scattering we determine the $^{99}$Ru magnetic hyperfine splitting to be negligible. Inelastic X-ray and neutron scattering derived lattice dynamics of RuO$_2$ are compared to density functional theory calculations of varying flavors. Comparisons among theory with experiments indicate that electronic correlations, rather than magnetic order, are key in describing the lattice dynamics.

cond-mat.mtrl-sci↗

arXiv2025

Stability frontiers in the AM$_6$X$_6$ kagome metals: The LnNb$_6$Sn$_6$ (Ln:Ce-Lu,Y) family and density-wave transition in LuNb$_6$Sn$_6$

The kagome motif is a versatile platform for condensed matter physics, hosting rich interactions between magnetic, electronic, and structural degrees of freedom. In recent years, the discovery of a charge density wave (CDW) in the AV$_3$Sb$_5$ superconductors and structurally-derived bond density waves in FeGe and ScV$_6$Sn$_6$ have stoked the search for new kagome platforms broadly exhibiting density wave (DW) transitions. In this work, we evaluate the known AM$_6$X$_6$ chemistries and construct a stability diagram that summarizes the structural relationships between the $\approx$125 member family. Subsequently we introduce our discovery of the broader LnNb$_6$Sn$_6$ (Ln:Ce-Nd,Sm,Gd-Tm,Lu,Y) family of kagome metals and an analogous DW transition in LuNb$_6$Sn$_6$. Our X-ray scattering measurements clearly indicate a (1/3, 1/3, 1/3) ordering wave vector ($\sqrt{3}\times\sqrt{3}\times3$ superlattice) and diffuse scattering on half-integer $L$-planes. Our analysis of the structural data supports the ``rattling mode'' DW model proposed for ScV$_6$Sn$_6$ and paints a detailed picture of the steric interactions between the rare-earth filler element and the host Nb-Sn kagome scaffolding. We also provide a broad survey of the magnetic properties within the HfFe$_6$Ge$_6$-type LnNb$_6$Sn$_6$ members, revealing a number of complex antiferromagnetic and metamagnetic transitions throughout the family. This work integrates our new LnNb$_6$Sn$_6$ series of compounds into the broader AM$_6$X$_6$ family, providing new material platforms and forging a new route forward at the frontier of kagome metal research.

cond-mat.str-el↗

arXiv2025

Anomalous temperature-dependent magnetization in the nearly collinear antiferromagnet Y$_2$Co$_3$

Y$_2$Co$_3$ is a newly discovered antiferromagnetic (AFM) compound with distorted kagome layers. Previous investigations via bulk magnetization measurements suggested a complex noncollinear magnetic behavior, with magnetic moments primarily anti-aligned along the $b$ axis and some canting towards the $ac$ plane. In this study, we report the magnetic structure of Y$_2$Co$_3$ to be an A-type AFM structure with ferromagnetic (FM) interactions within the distorted kagome plane and an interplane antiferromagnetic interaction, as determined by single-crystal neutron diffraction. The magnetic moments align along the $b$ axis, with minimal canting towards the $c$ axis, at odds with the previous interpretation of bulk magnetization measurements. The magnetic moments on the two distinct Co sites are [0, -0.68(3), 0] $μ_B$ and [0, 1.25(4), 0.07(1)] $μ_B$. We attribute the previously reported "noncollinear" behavior to the considerable temperature dependence of itinerant AFM exchange interactions, induced by thermal contraction along the $b$ axis. Additionally, our examination of lattice constants through pressure studies reveals compensating effects on FM and AFM interactions, resulting in negligible pressure dependence of $T_\textrm{N}$.

cond-mat.str-el↗

arXiv2024

Intricate magnetic landscape in antiferromagnetic kagome metal TbTi$_3$Bi$_4$ and interplay with Ln$_{2-x}$Ti$_{6+x}$Bi$_9$ (Ln: Tb-Lu) shurikagome metals

Here we present the discovery and characterization of the kagome metal TbTi$_3$Bi$_4$ in tandem with a new series of compounds, the Ln$_{2-x}$Ti$_{6+x}$Bi$_9$ (Ln: Tb-Lu) shurikagome metals. We previously reported on the growth of the LnTi$_3$Bi$_4$ (Ln: La-Gd$^{3+}$, Eu$^{2+}$, Yb$^{2+}$) family, a chemically diverse and exfoliable series of kagome metals with complex and highly anisotropic magnetism. However, unlike the La-Gd analogs, TbTi$_3$Bi$_4$ cannot be synthesized by our previous methodology due to phase competition with Ln$_{2-x}$Ti$_{6+x}$Bi$_9$ (x$\sim$1.7-1.2). Here we discuss the phase competition between the LnTi$_3$Bi$_4$ and Ln$_{2-x}$Ti$_{6+x}$Bi$_9$ families, helping to frame the difficulty in synthesizing LnTi$_3$Bi$_4$ compounds with small Ln species and providing a strategy to circumvent formation of Ln$_{2-x}$Ti$_{6+x}$Bi$_9$. Detailed characterization of the magnetic and electronic transport properties on single crystals of TbTi$_3$Bi$_4$ reveals a highly complex landscape of magnetic phases arising from an antiferromagnetic ground state. A series of metamagnetic transitions creates at least 5 unique magnetic phase pockets, including a 1/3 and 2/3 magnetization plateau. Further, the system exhibits an intimate connection between the magnetism and magnetotransport, exhibiting sharp switching from positive (+40%) to negative magnetoresistance (-50%). Like the LnTi$_3$Bi$_4$ kagome metals, the Ln$_{2-x}$Ti$_{6+x}$Bi$_9$ family exhibits quasi-2D networks of titanium and chains of rare-earth. We present the structures and some basic magnetic properties of the Ln$_{2-x}$Ti$_{6+x}$Bi$_9$ family alongside our characterization of the newly discovered TbTi$_3$Bi$_4$.

cond-mat.mtrl-sci↗

arXiv2023

Evolution of highly anisotropic magnetism in the titanium-based kagome metals LnTi$_3$Bi$_4$ (Ln: La...Gd$^{3+}$, Eu$^{2+}$, Yb$^{2+}$)

Here we present the family of titanium-based kagome metals of the form LnTi$_3$Bi$_4$ (Ln: La...Gd$^{3+}$, Eu$^{2+}$, Yb$^{2+}$). Single crystal growth methods are presented alongside detailed magnetic and thermodynamic measurements. The orthorhombic (Fmmm) LnTi$_3$Bi$_4$ family of compounds exhibit slightly distorted titanium-based kagome nets interwoven with zig-zag lanthanide-based (Ln) chains. Crystals are easily exfoliated parallel to the kagome sheets and angular resolved photoemission (ARPES) measurements highlight the intricacy of the electronic structure in these compounds, with Dirac points existing at the Fermi level. The magnetic properties and the associated anisotropy emerge from the quasi-1D zig-zag chains of Ln, and impart a wide array of magnetic ground states ranging from anisotropic ferromagnetism to complex antiferromagnetism with a cascade of metamagnetic transitions. Kagome metals continue to provide a rich direction for the exploration of magnetic, topologic, and highly correlated behavior. Our work here introduces the LnTi$_3$Bi$_4$ compounds to augment the continuously expanding suite of complex and interesting kagome materials.

cond-mat.mtrl-sci↗

arXiv2023

Multiple Incommensurate Magnetic States in the Kagome Antiferromagnet Na2Mn3Cl8

The kagome lattice can host exotic magnetic phases arising from frustrated and competing magnetic interactions. However, relatively few insulating kagome materials exhibit incommensurate magnetic ordering. Here, we present a study of the magnetic structures and interactions of antiferromagnetic Na$_2$Mn$_3$Cl$_8$ with an undistorted Mn$^{2+}$ kagome network. Using neutron-diffraction and bulk magnetic measurements, we show that Na$_2$Mn$_3$Cl$_8$ hosts two different incommensurate magnetic states, which develop at $T_{N1} = 1.6$ K and $T_{N2} = 0.6$ K. Magnetic Rietveld refinements indicate magnetic propagation vectors of the form $\mathbf{q} = (q_{x},q_{y},\frac{3}{2})$, and our neutron-diffraction data can be well described by cycloidal magnetic structures. By optimizing exchange parameters against magnetic diffuse-scattering data, we show that the spin Hamiltonian contains ferromagnetic nearest-neighbor and antiferromagnetic third-neighbor Heisenberg interactions, with a significant contribution from long-ranged dipolar coupling. This experimentally-determined interaction model is compared with density-functional-theory simulations. Using classical Monte Carlo simulations, we show that these competing interactions explain the experimental observation of multiple incommensurate magnetic phases and may stabilize multi-$\mathbf{q}$ states. Our results expand the known range of magnetic behavior on the kagome lattice.

cond-mat.str-el↗

arXiv2022

Field Tunable Magnetic Transitions of CsCo2(MoO4)2(OH): A Triangular Chain Structure with a Frustrated Geometry

Identifying and characterizing new magnetic systems with Co2+ ions can enhance our understanding of quantum behavior since Co2+ can host a pseudospin-1/2 magnetic ground state. Understanding the magnetic ground state and the phase diagrams of such systems are central to the development of new theoretical models to described emergent quantum properties of complex magnetic systems. The sawtooth chain compound, CsCo2MoO4_2OH, is one such complex magnetic system and here, we present a comprehensive series of magnetic and neutron scattering measurements to determine its magnetic phase diagram. The magnetic properties of CsCo2MoO4_2OH exhibit a strong coupling to the crystal lattice and its magnetic ground state can be easily manipulated by applied magnetic fields. There are two unique Co2+ ions, base and vertex, with Jbb and Jbv magnetic exchange. The magnetism is highly anisotropic with the b-axis (chain) along the easy axis and the material orders antiferromagnetically at TN = 5 K. The zero field antiferromagnetic phase contains vertex magnetic vectors Co1 aligned parallel to the b-axis, while the base vectors Co2 are canted by 34 and aligned in an opposite direction to the vertex vectors. The spins in parallel adjacent chains align in opposite directions, creating an overall antiferromagnetic structure. At a 3 kOe applied magnetic field, adjacent chains flip by 180° to generate a ferrimagnetic phase. An increase in field gradually induces the Co(1) moment to rotate along the b-axis and align in the same direction with Co2 generating a ferromagnetic structure. Our results demonstrate that the CsCo2MoO4_2OH is a promising candidate to study new physics associated with sawtooth chain magnetism.

cond-mat.str-el↗

arXiv2022

NaCo2(SeO3)2(OH): Competing Magnetic Ground States of a New Sawtooth Structure with 3d7 Co2+ Ions

While certain magnetic sublattices have long been known theoretically to give rise to emergent physics via competing magnetic interactions and quantum effects, finding such configurations in real materials is often deeply challenging. Here we report the synthesis and characterization of a new such material, NaCo2(SeO3)2(OH) which crystallizes with a highly frustrated sublattice of sawtooth Co2+ chains. Single crystals of NaCo2(SeO3)2(OH) were synthesized using a low-temperature hydrothermal method. X-ray single crystal structure analysis reveals that the material crystallizes in orthorhombic space group of Pnma (no. 62). Its crystal structure exhibits one-dimensional chains of corner-sharing isosceles triangles that are made of two crystallographically distinct 3d7 Co2+ sites (Co(1) and Co(2)). The chains run along the b-axis and are interconnected via [SeO3] groups to form a three-dimensional structure mediating super-exchange interactions. The temperature dependent magnetization data show a ferromagnetic-like (FM) transition at 11 K (T1) followed by an antiferromagnetic (AFM) transition at about 6 K (T2). Neutron-powder diffraction measurements reveal that at T1 = 11 K only Co(2) site orders magnetically, forming ferromagnetic zigzag chains along the b-axis. Below T2 = 6 K, both Co(1) and Co(2) sites order in an nearly orthogonal configuration, with Co(1) moments lying inside the plane of the sawtooth chain while Co(2) moments cant out of the plane. The canting of the magnetic moments leads to a net ferromagnetic component along b-axis, parallel to the chain direction. The ordered moments are fully compensated in the ac-plane.

cond-mat.str-el↗

arXiv2022

Robust antiferromagnetism in Y$_2$Co$_3$

We report on a solution-growth based method to synthesise single crystals of Y$_2$Co$_3$ and on its structural and magnetic properties. We find that Y$_2$Co$_3$ crystallizes in the La2Ni3-type orthorhombic structure with space group Cmce (No. 64), with Co forming distorted kagome lattices. Y$_2$Co$_3$ orders antiferromagnetically below $T_N$ = 252 K. Magnetization measurements reveal that the moments are primarily aligned along the b axis with evidence for some canting. Band-structure calculations indicate that ferromagnetic and antiferromagnetic orders are nearly degenerate, at odds with experimental results. Magnetization measurements under pressure up to 1 GPa reveal that the N/'eel temperature decreases with the slope of -1.69 K/GPa. We observe a field-induced spin-flop transition in the magnetization measurements at 1.5 K and 21 T with magnetic field along the b direction. The magnetization is not saturated up to 35 T, indicating that the antiferromagnetic ordering in Y$_2$Co$_3$ is quite robust, which is surprising for such a Co-rich intermetallic.

cond-mat.str-el↗

arXiv2021

Competitive and Cooperative electronic states in Ba(Fe$_{1-x}$T$_x$)$_2$As$_2$ with T=Co, Ni, Cr

The electronic structure inhomogeneities in Co, Ni, and Cr doped BaFe2As2 122 single crystals are compared using scanning tunneling microscopy/spectroscopy (STM/S) at the nanoscale within three bulk property regions in the phase diagram: a pure superconducting (SC) dome region (Co-122), a coexisting SC and antiferromagnetic (AFM) region (Ni-122), and a non-SC region (Cr-122). Machine learning is utilized to categorize the various nanometer scale inhomogeneous electronic states, described here as in-gap, L-shape and S-shape states immersed into the SC matrix for Ni-and Co-doped 122, and L-shape and S-shape states into the metallic matrix for Cr-doped 122. Although the relative percentages of in-gap, L-shape and S-shape states vary in the three samples, the total volume fraction of the three electronic states is quite similar. This is coincident with the number of electrons (Ni0.04 and Co0.08) and holes (Cr0.04) doped into the 122 compound. By combining the volume fractions of the three states, the local density of states (LDOS), magnetic field dependent behavior and global properties in these three samples, the in-gap state is confirmed as a magnetic impurity state from the Co or Ni dopants. In addition, the L-shape state is identified as a spin density wave (SDW) which competes with the SC phase, and the S-shape state is found to be another form of magnetic order which constructively cooperates with the SC phase, rather than competing with it. The comparison of the vortex structures indicates that the inhomogeneous electronic states serve as pinning centers for stabilizing the vortex lattice.

cond-mat.supr-con↗

arXiv2021

Hierarchical excitations from correlated spin tetrahedra on the breathing pyrochlore lattice

The hierarchy of the coupling strengths in a physical system often engenders an effective model at low energies where the decoupled high-energy modes are integrated out. Here, using neutron scattering, we show that the spin excitations in the breathing pyrochlore lattice compound CuInCr$_4$S$_8$ are hierarchical and can be approximated by an effective model of correlated tetrahedra at low energies. At higher energies, intra-tetrahedron excitations together with strong magnon-phonon couplings are observed, which suggests the possible role of the lattice degree of freedom in stabilizing the spin tetrahedra. Our work illustrates the spin dynamics in CuInCr$_4$S$_8$ and demonstrates a general effective-cluster approach to understand the dynamics on the breathing-type lattices.

cond-mat.str-el↗

arXiv2020

Simulating Spin Waves in Entropy Stabilized Oxides

The entropy stabilized oxide Mg$_{0.2}$Co$_{0.2}$Ni$_{0.2}$Cu$_{0.2}$Zn$_{0.2}$O exhibits antiferromagnetic order and magnetic excitations, as revealed by recent neutron scattering experiments. This observation raises the question of the nature of spin wave excitations in such disordered systems. Here, we investigate theoretically the magnetic ground state and the spin-wave excitations using linear spin-wave theory in combination with the supercell approximation to take into account the extreme disorder in this magnetic system. We find that the experimentally observed antiferromagnetic structure can be stabilized by a rhombohedral distortion together with large second nearest neighbor interactions. Our calculations show that the spin-wave spectrum consists of a well-defined low-energy coherent spectrum in the background of an incoherent continuum that extends to higher energies.

cond-mat.dis-nn↗

arXiv2020

Cluster Frustration in the Breathing Pyrochlore Magnet LiGaCr4S8

We present a comprehensive neutron scattering study of the breathing pyrochlore magnet LiGaCr4S8. We observe an unconventional magnetic excitation spectrum with a separation of high and low-energy spin dynamics in the correlated paramagnetic regime above a spin-freezing transition at 12(2) K. By fitting to magnetic diffuse-scattering data, we parameterize the spin Hamiltonian. We find that interactions are ferromagnetic within the large and small tetrahedra of the breathing pyrochlore lattice, but antiferromagnetic further-neighbor interactions are also essential to explain our data, in qualitative agreement with density-functional theory predictions [Ghoshet al.,npj Quantum Mater.4, 63 (2019)]. We explain the origin of geometrical frustration in LiGaCr4S8 interms of net antiferromagnetic coupling between emergent tetrahedral spin clusters that occupy a face-centered lattice. Our results provide insight into the emergence of frustration in the presence of strong further-neighbor couplings, and a blueprint for the determination of magnetic interactions in classical spin liquids.

cond-mat.str-el↗

arXiv2019

Local Superconductivity in Vanadium Iron Arsenide

We investigate the chemical substitution of group 5 into BaFe2As2 (122) iron arsenide, in the effort to understand why Fe-site hole doping of this compound (e.g., using group 5 or 6) does not yield bulk superconductivity. We find an increase in c-lattice parameter of the BaFe2As2 with the substitution of V, Nb, or Ta; the reduction in c predicts the lack of bulk superconductivity [1] that is confirmed here through transport and magnetization results. However, our spectroscopy measurements find a coexistence of antiferromagnetic and local superconducting nanoscale regions in V-122, observed for the first time in a transition-metal hole-doped iron arsenide. In BaFe2As2, there is a complex connection between local parameters such as composition and lattice strain, average lattice details, and the emergence of bulk quantum states such as superconductivity and magnetism. [1] L. M. N. Konzen, and A. S. Sefat, J. Phys.: Condens. Matter 29 (2017), 083001.

cond-mat.supr-con↗

arXiv2019

Lattice Disorder Effect on Magnetic Ordering of Iron Arsenides

This study investigates the changes of magnetic ordering temperature via nano- and mesoscale structural features in an iron arsenide. Although magnetic ground states in quantum materials can be theoretically predicted from known crystal structures and chemical compositions, the ordering temperature is harder to pinpoint due to such local lattice variations. In this work we find surprisingly that a locally disordered material can exhibit a significantly larger Neel temperature (TN) than an ordered material of precisely the same chemical stoichiometry. Here, a EuFe2As2 crystal, which is a 122 parent of iron arsenide superconductors, is found through synthesis to have ordering below TN = 195 K (for the disordered crystal) or TN = 175 K (for the ordered crystal). In the higher TN crystals, there are shorter planar Fe-Fe bonds [2.7692(2) A vs. 2.7745(3) A], a randomized in-plane defect structure, and diffuse scattering along the [00L] crystallographic direction that manifests as a rather broad specific heat peak. For the lower TN crystals, the a-lattice parameter is larger and the in-plane microscopic structure shows defect ordering along the antiphase boundaries, giving a larger TN and a higher superconducting temperature (Tc) upon the application of pressure. First principles calculations find a strong interaction between c-axis strain and interlayer magnetic coupling, but little impact of planar strain on the magnetic order. Neutron single-crystal diffraction shows that the low-temperature magnetic phase transition due to localized Eu moments is not lattice or disorder sensitive, unlike the higher-temperature Fe sublattice ordering. This study demonstrates a higher magnetic ordering point arising from local disorder in 122.

cond-mat.supr-con↗

arXiv2018

Borderline Magnetism: How Does Adding Magnesium to Paramagnetic CeCo$_3$ Make a 450 K Ferromagnet with Large Magnetic Anisotropy?

A recent experimental study (Phys. Rev. Appl. 9, 024023, 2018) on paramagnetic CeCo$_3$ finds that Magnesium alloying induces a ferromagnetic transition with intrinsic properties large enough for permanent magnet applications. Here we explain these surprising results \textit{via} a first principles study of the electronic structure and magnetism of Magnesium-alloyed CeCo$_3$. We find the origin of this Magnesium-induced ferromagnetic transition to be Stoner physics - the substantial increase in the Fermi-level density-of-states $N(E_F)$ with Mg alloying. Our calculations suggest that both Ce and Co atoms are important for generating large magnetic anisotropy suggesting the viability of Co-3$d$, and Ce-4$f$ interaction for the generation of magnetic anisotropy in magnetic materials. These results offer a new route to the discovery of ferromagnetic materials and provide fundamental insight into the magnetic properties of these alloys

cond-mat.mtrl-sci↗

arXiv2018

Magnetic properties of single crystalline itinerant ferromagnet AlFe2B2

Single crystals of AlFe$_{2}$B$_{2}$ have been grown using the self flux growth method and then measured the structural properties, temperature and field dependent magnetization, and temperature dependent electrical resistivity at ambient as well as high pressure. The Curie temperature of AlFe$_{2}$B$_{2}$ is determined to be $274$~K. The measured saturation magnetization and the effective moment for paramagnetic Fe-ion indicate the itinerant nature of the magnetism with a Rhode-Wohlfarth ratio $ \frac{M_{C}}{M_{sat}}\approx 1.14$. Temperature dependent resistivity measurements under hydrostatic pressure shows that transition temperature \textit{T$_C$} is suppressed down to 255 K for $p = 2.24$~GPa pressure with a suppression rate of $\sim -8.9$~K/GPa. The anisotropy fields and magnetocrystalline anisotropy constants are in reasonable agreement with density functional theory calculations.

cond-mat.mtrl-sci↗