arXiv subjects

Danielle R. Yahne

Publications and source records attributed to Danielle R. Yahne.

7 recordsLinked to original sources

arXiv2026

Single crystal growth, structural and magnetic properties of CeZn$_{2-x}$Ga$_{2+x}$

The tetragonal BaAl$_4$ ($I4/mmm$) parent structure underpins a diverse family of materials exhibiting novel phenomena, including nematic superconductivity, topological semimetallicity, and heavy fermion behavior. The recent growth of ternary R-Zn-Ga compounds, such as the previously reported CeZn$_2$Ga$_2$, has explored some of the members exhibiting rare-earth magnetism within this family. In this paper, we report on the structural and magnetic properties of single crystals of CeZn$_{2-x}$Ga$_{2+x}$, a Ga-rich analogue of CeZn$_2$Ga$_2$. Our CeZn$_{2-x}$Ga$_{2+x}$ samples exhibit magnetic properties distinct from the paramagnetic behavior previously reported for CeZn$_2$Ga$_2$. We observe a magnetic transition around 4 K, pronounced metamagnetic states at low temperatures, and strong magnetic anisotropy. Though there are batch-to-batch variations that suggest a strong sensitivity to local structural imperfections, we consistently see the presence of magnetic transitions and metamagnetic states in our crystals. To investigate the local structural sensitivity hypothesis, we performed Reverse Monte Carlo analysis of collected powder neutron diffraction data, revealing the presence of significant local crystallographic disorder of the magnetic Ce site. Our findings demonstrate that the positional disorder drives competing ferromagnetic and antiferromagnetic correlations that lead to the observed spin glass behavior and complex anisotropic magnetism. This study illustrates that tuning the local crystallographic disorder enables engineering frustrated magnetic states in BaAl$_4$-type and similar intermetallic structures.

cond-mat.str-el↗

arXiv2025

Ferrimagnetic Order in Tetragonal Antiperovskite Mn$_3$GeN

The crystal and magnetic structures of the nitride antiperovskite Mn$_3$GeN reveals ferrimagnetic order stemming from a distorted kagome-derived lattice of the Mn atoms. Polycrystalline Mn$_3$GeN was synthesized via a solid-state reaction and characterized using neutron powder diffraction, DC magnetometry, and first-principles calculations. Rietveld refinement reveals near-stoichiometric composition (Mn$_3$GeN$_{0.94(1)}$) adopting a tetragonal $I4/mcm$ structure at $T$ = 500 K and below, featuring axially distorted and tilted [NMn$_6$] octahedra that result in a buckled Mn kagome lattice. On heating, the tetragonal distortion and octahedral tilt angle decrease continuously before transitioning to the cubic $Pm\bar{3}m$ antiperovskite phase at $T \approx$ 524 K. Neutron diffraction and magnetometry together reveal noncollinear ferrimagnetic ordering. For 30 K $\le T \le$ 500 K, the magnetic structure is described by a single propagation vector, $k$ = (0, 0, 0), with inequivalent Mn1 and Mn2 sublattices that couple antiferromagnetically to yield a net moment. Density functional theory-based calculations show the different local moments originate from the bandwidths associated with the distinct Mn-N bond lengths. The temperature dependence of the sublattice moments indicates a compensation-like crossover between Mn1- and Mn2-derived magnetization near 380 K. These findings uncover a previously unrecognized subtlety in the magnetic and structural behavior of Mn$_3$GeN, highlighting the interplay between structural distortions, magnetic ordering, and electronic structure in kagome-derived antiperovskite materials.

cond-mat.mtrl-sci↗

arXiv2025

XY-like Incommensurate Magnetic Order in Ce$_2$SnS$_5$

We report the synthesis of single crystals of Ce$_2$SnS$_5$ through a two-stage chemical vapor transport method. The Ce$_2$SnS$_5$ system is a member of the orthorhombic $Pbam$ (No. 55) space group and realizes a distorted trigonal tricapped prism (TTP) crystal field around each cerium site. We characterized the sample through orientation-dependent magnetization and heat capacity measurements to probe the magnetic anisotropy in the system characteristic of XY-like anisotropic Heisenberg model behavior. Ce$_2$SnS$_5$ furthermore enters a zero-field ordered phase under $T_N =$ 2.4 K; powder neutron diffraction measurements reveal incommensurate magnetic order near $T_N$. The system then locks into a commensurate, two-$q$ magnetic structure below approximately 1.2 K. This commensurate structure belongs to the Shubnikov group $Pb'a'm'$ (MSG 55.359) and realizes the propagation vectors $\vec{q} = (1/3,0,0)$ and $\vec{q} = (0,0,0)$.

cond-mat.mes-hall↗

arXiv2025

A planning tool for neutron powder diffraction experiments

We introduce a computer program to simulate the results of neutron powder-diffraction experiments at the High Flux Isotope Reactor at Oak Ridge National Laboratory. The program is freely available as a web application at http://addie.ornl.gov/hfirestimate, and is designed to be straightforward to use for researchers who are new to neutron diffraction. The input includes the crystal structure of the proposed sample, the sample mass, and the instrument configuration. The results include a plot of the simulated data -- including realistic estimates of background and the error bars due to counting statistics -- and suggestions of how to resolve potential problems with the experiment. Here, we explain the design and implementation of this program and demonstrate its performance using comparisons of simulated and experimental data. We hope that this program will enable researchers to plan neutron-scattering experiments more effectively, increasing the likelihood of successful experiments and improving the productivity of neutron-diffraction research.

physics.ins-det↗

arXiv2025

Magnetic Pair Distribution Function and Half Polarized Neutron Powder Diffraction at the HB-2A Powder Diffractometer

Local magnetic order and anisotropy are often central for understanding fundamental behavior and emergent functional properties in quantum materials and beyond. Advances in neutron powder diffraction experiments and analysis tools now allow for quantitative determination. We demonstrate this here with complementary total neutron scattering and polarized neutron measurements on the HB-2A neutron powder diffractometer at the High Flux Isotope Reactor (HFIR). In recent years, magnetic pair distribution function (mPDF) analysis has emerged as a powerful technique for probing local magnetic spin ordering of magnetic materials. This method can be broadly applied to any magnetic material but is particularly effective for studying systems with short-range magnetic order, such as materials with reduced dimensionality, geometrically frustrated magnets, thermoelectrics, multiferroics, and correlated paramagnets. Magnetic anisotropy often underpins the short-range order adopted. Half-polarized neutron powder diffraction (pNPD) can be used to determine the local susceptibility tensor on the magnetic sites to quantify the magnetic anisotropy. Combining the techniques of mPDF and pNPD can therefore provide valuable insights into local magnetic behavior. A series of measurements optimized for these techniques are presented as exemplar cases focused on frustrated materials where short-range order dominates, these include measurements to ultra-low temperature (<100 mK) not typically accessible for such experiments.

cond-mat.str-el↗

arXiv2024

Magnetic Phase Diagram of ErB$_4$ as Explored by Neutron Scattering

The tetragonal $4f$-electron intermetallic ErB$_4$ is characterized by strong Ising anisotropy along the tetragonal $c$ axis. The magnetic moments on the erbium sites can be mapped onto a Shastry-Sutherland (SSL) lattice resulting in geometrical frustration. At zero magnetic field ErB$_4$ exhibits collinear columnar antiferromagnetic (CAFM) order below $T_\text{N} = 15.4$ K. In the presence of a magnetic field parallel to the $c$ axis, ErB$_4$ exhibits a plateau at $1/2$ of the saturation magnetization $M_\text{S}$, which arises at a spin flip transition at $H_1$ $=$ 1.9 T. Fractional magnetization plateaus and other exotic spin phases are a well-established characteristic feature of frustrated spin systems. Monte Carlo simulations propose that ErB$_4$ is an ideal candidate to feature a spin supersolid phase in close vicinity of $H_1$ between the CAFM and $M/M_\text{S}=1/2$ plateau (HP) phase. Here we combine single-crystal neutron diffraction and inelastic neutron scattering to study the magnetic phase diagram and the crystal electric field (CEF) ground state of ErB$_4$. Our measurements as a function of magnetic field find no signature of the spin supersolid phase but allow us to determine the magnetic structure of the HP phase to be of the uuud type consistent with an Ising material. The magnetic moment $μ_{\mathrm{CEF}}$ $=$ 8.96 $μ_B$ expected from the CEF configuration determined by our inelastic neutron scattering measurements is also consistent with the ordered moment observed in neutron diffraction showing that the moments are fully ordered and close to the Er$^{3+}$ free ion moment (9.6 $μ_B$).

cond-mat.str-el↗

arXiv2020

Pseudo-Spin Versus Magnetic Dipole Moment Ordering in the Isosceles Triangular Lattice Material K$_3$Er(VO$_4$)$_2$

Spin-1/2 antiferromagnetic triangular lattice models are paradigms of geometrical frustration, revealing very different ground states and quantum effects depending on the nature of anisotropies in the model. Due to strong spin orbit coupling and crystal field effects, rare-earth ions can form pseudo-spin-1/2 magnetic moments with anisotropic single-ion and exchange properties. Thus, rare-earth based triangular lattices enable the exploration of this interplay between frustration and anisotropy. Here we study one such case, the rare-earth double vanadate glaserite material K$_3$Er(VO$_4$)$_2$, which is a quasi-2D isosceles triangular antiferromagnet. Our specific heat and neutron powder diffraction data from K$_3$Er(VO$_4$)$_2$ reveal a transition to long range magnetic order at 155 $\pm$ 5 mK which accounts for all R$\ln$2 entropy. The quasi-2D magnetic order leads to anisotropic Warren-like Bragg peak profiles, and is best described by alternating layers of b-axis aligned antiferromagnetism and zero moment layers. Our magnetic susceptibility data reveal that Er$^{3+}$ takes on a strong XY single-ion anisotropy in K$_3$Er(VO$_4$)$_2$, leading to vanishing moments when pseudo-spins are oriented along c. Thus, the magnetic structure, when considered from the pseudo-spin point of view comprises alternating layers of b-axis and c-axis aligned antiferromagnetism.

cond-mat.str-el↗