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Despina Louca

Publications and source records attributed to Despina Louca.

At least 19 recordsLinked to original sources
arXiv2026

Helimagnetism from competing intra- and interchain interactions in CrBr$_2$ and CrI$_2$

CrBr$_2$ and CrI$_2$ are promising platforms for studying the effect of dimensionality on magnetic order, having been isolated in a 3-, 2-, and 1-dimensional form as bulk crystals, monolayers, and individual chains encapsulated in carbon nanotubes. However, the interactions that give rise to their helimagnetic order are unknown. Via inelastic neutron scattering on single crystals, we have determined the exchange interactions of these compounds from the spin wave dispersions, finding that the helimagnetic order arises primarily from competing antiferromagnetic interactions between intrachain and interchain nearest-neighbors. Single-ion anisotropy is substantial, modulating the helical spin rotation and gapping the inelastic intensity at points of branch crossings. As temperature increases, long-range order vanishes but intralayer correlations remain detectable up to at least 50 K.

cond-mat.mtrl-sci↗
arXiv2026

Exchange anisotropy-driven noncollinear magnetism and magnetic transitions in MnTiO3 ilmenite

Evidence for multiple magnetic transitions and unconventional spin exchange interactions in the ilmenite insulator MnTiO3 is provided via neutron scattering. On cooling, while G-type antiferromagnetic (AFM) order sets in first at 63 K with a k1 = (000) characteristic wave vector, a weaker second magnetic transition with k2 = (00 3/2 ) appears near 42 K, giving rise to a noncollinear structure. Intrinsic buckling of the honeycomb lattice along c creates bond anisotropy and a distorted crystal field that can lead to exchange paths that modulate orbital overlap and spin-orbit coupling. The inelastic spectrum is best described by magnetic exchange anisotropy that breaks the local symmetry of the honeycomb, with competing AFM Heisenberg, Dzyaloshinskii-Moriya and alternate intra-planar ferromagnetic (FM) interactions, that may yield a weakly-coupled ladder system.

cond-mat.str-el↗
arXiv2026

Charge density wave and superconductivity modulated by c-axis stacking in the TaSe2 polytypes

The layered transition metal dichalcogenide, TaSe2, exhibits rich electronic phenomena across its polymorphs, 1T, 2H, and 3R, largely driven by differences in atomic coordination and c-axis stacking. In the 1T phase, octahedral coordination and AA stacking promote strong interlayer coupling and stabilize a commensurate charge density wave (CDW) with star-of-David clusters that set in at high temperatures. The 2H phase exhibits trigonal prismatic coordination with AB stacking, and hosts both incommensurate and commensurate CDW phases and weak superconductivity at very low temperatures. The 3R phase, characterized by ABC stacking and trigonal prismatic coordination, exhibits enhanced superconductivity along with CDW order, attributed to modified interlayer hybridization and reduced CDW competition. These stacking-dependent variations in interlayer coupling are critical in tuning correlated states in the dichalcogenides.

cond-mat.supr-con↗
arXiv2025

Tunable Electronic Interactions and Weak Antilocalization in Bulk Ge$_2$Sb$_2$Te$_{5-5x}$Se$_{5x}$ Phase Change Materials

Phase change materials (PCMs) are well-known for their reversible and rapid switching between crystalline and amorphous phases through thermal excitations mediated by strong electrical or laser pulses. This crystal-to-amorphous transition is accompanied by a remarkable contrast in optical and electronic properties, making PCMs useful in nonvolatile data storage applications. Here, we combine electrical transport and angle resolved photoemission spectroscopy (ARPES) measurements to study the electronic structure of bulk Ge$_2$Sb$_2$Te$_{5-5x}$Se$_{5x}$ (GSST) for $0\le x \le 0.8$, where $x$ represents the amount of Se substituting Te in Ge$_2$Sb$_2$Te$_5$ (GST)-- a prototypical PCM. The single-particle density of states (SDOS) derived from the integrated ARPES data displays metallic behavior for all $x$, as evidenced by the presence of a finite density of states in the vicinity of the chemical potential. Transport measurements also display clear signatures of metallic transport, consistent with the SDOS data. The temperature dependence of the resistance indicates the onset of moderate electron-electron Coulomb interaction effects at low temperatures for $x\geq 0.6$. At the same time, the magnetoresistance data shows signatures of weak antilocalization for $x\geq 0.6$. An analysis on the temperature dependence of the phase coherence length suggests that electron dephasing is primarily due to inelastic electron-electron scattering. We find that these effects are enhanced with increasing $x$, portraying GSST as a novel PCM where electronic interactions can be tuned via chemical doping.

cond-mat.mtrl-sci↗
arXiv2025

Magnetic dynamics in NiTiO3 honeycomb antiferromagnet using neutron scattering

The ilmenite NiTiO3 consists of a buckled honeycomb lattice, with the Ni spins aligned ferromagnetically in-plane and antiferromagnetically out-of-plane. Using neutron spectroscopy, the magnetic structure and the dynamics were investigated as a function of temperature. Dispersive acoustic bands and nearly dispersionless optical bands at ~3.7 meV are described by a highly anisotropy Heisenberg model with stronger antiferromagnetic (AFM) out-of-plane, weaker ferromagnetic (FM) in-plane interactions and an anisotropy gap of 0.95 meV. The order parameter yields a critical exponent between the Heisenberg and two-dimensional Ising models, consistent with highly anisotropic Heisenberg systems. The frustration parameter ~ 2 supports a weakly frustrated system.

cond-mat.mtrl-sci↗
arXiv2024

Helimagnetism in CrBr$_2$ and CrIBr

In CrX$_2$ (X=Br, I), a Jahn-Teller effect distorts the octahedral configuration of the anions about Cr, resulting in a "ribbon chain" structure. We previously observed helimagnetism in CrI$_2$ propagating along the ribbon chains, with an 80-90$^{\circ}$ rotation per Cr ion. Via neutron scattering, we report that CrBr$_2$ and the solid solution CrIBr are also helimagnetic, with Néel temperatures of 17 and 12 K, respectively, and signs of intermediate magnetic transitions in both compounds. The helical angle between spins on consecutive Cr ions along the ribbon chains increases with increasing Br substitution, from 89.7$^{\circ}$ (CrI$_2$) to 116$^{\circ}$ (CrIBr) to 147$^{\circ}$ (CrBr$_2$), possibly as a result of decreasing longer-range intrachain spin interactions with the increased electron localization of the lighter anions.

cond-mat.str-el↗
arXiv2024

Role of stacking defects on the magnetic behavior of CrCl$_3$

In the study of van der Waals-layered magnetic materials, the properties of CrCl$_3$ continue to attract attention. This compound is reported to undergo antiferromagnetic (AFM) ordering below $\sim$14 K, with a ferromagneticlike region proposed to exist between 14 and 17 K. Ideally, the crystal structure is rhombohedral (R) below $\sim$235 K, separated from a higher-temperature monoclinic (M) phase by a layer-sliding structural phase transition. However, the structural transition is often inhibited even in bulk single crystals, allowing M-type layer stacking, reported to have a tenfold greater interlayer magnetic coupling than R-type stacking, to be present at low temperature. To clarify the effect of stacking defects on CrCl$_3$, we report magnetization measurements on samples of varying crystalline quality. At low applied magnetic field, some crystals predominantly show the $T_N=14$ K peak, but other crystals show hysteretic behavior and a magnetization enhancement at a slightly higher temperature ($14 < T \lesssim 17$ K.) Samples with anomalous behavior exhibit a transition around $\sim$2 T in isothermal magnetization-field data, providing evidence that M-type stacking defects are the source of these anomalies. Ground powder samples are especially likely to show strongly anomalous behavior. We suggest that the anomalous behavior arises from few-layer magnetic domains that form just above $T_N$ in an environment of mixed interlayer magnetic coupling strength. We argue that the influence of M-type stacking boundaries on sublattice magnetization is already observable in reported neutron scattering data, and may be responsible for a certain feature in reported specific heat data.

cond-mat.mtrl-sci↗
arXiv2023

Observation of helimagnetism in the candidate ferroelectric CrI$_2$

CrI$_{2}$ is a quasi-one dimensional (1D) van der Waals (vdW) system that exhibits helimagnetism that propagates along the ribbons. This was determined from neutron time-of-flight diffraction measurements. Below $T_N=17$ K, a screw-like helimagnetic order develops with an incommensurate wavevector of $\mathbf{q} \approx (0.2492,0,0)$ at 8 K. Using density functional theory (DFT)$+U$ calculations, the $J_{1}$-$J_{2}$ model was leveraged to describe the helimagnetism, where $J_{1} (> 0)$ and $J_2 (< 0)$ correspond, respectively, to a ferromagnetic nearest neighbor (NN) and antiferromagnetic next-nearest neighbor (NNN) intrachain interaction. The DFT$+U$ calculations predict that bulk CrI$_2$ in the orthorhombic $Cmc2_1$ crystal structure satisfies the $|J_2| > |J_1|/4$ condition, which favors formation of helimagnetic order.

cond-mat.mtrl-sci↗
arXiv2023

Suppression of stacking order with doping in 1T-TaS$_{2-x}$Se$_x$

In 1T-TaS$_{2-x}$Se$_x$, the charge density wave (CDW) state features a star of David lattice that expands across layers as the system becomes commensurate on cooling. The layers can also order along the c-axis and different stacking orders have been proposed. Using neutron scattering on powder samples, we compared the stacking order previously observed in 1T-TaS$_2$ as the system is doped with Se. While at low temperature, a 13c layer sequence stacking was observed in TaS$_2$, this type of ordering was not evident with doping. Doping with Se results in a nearly commensurate state with the Mott state suppressed which may be linked to the absence of the layer stacking.

cond-mat.mtrl-sci↗
arXiv2023

Antiferromagnetic-ferromagnetic homostructures with Dirac magnons in van der Waals magnet CrI$_3$

Van der Waals (vdW) Dirac magnon system CrI$_3$, a potential host of topological edge magnons, orders ferromagnetically (FM) (T$_C=61$ K) in the bulk, but antiferromagnetic (AFM) order has been observed in nanometer thick flakes, attributed to monoclinic (M) type stacking. We report neutron scattering measurements on a powder sample where the usual transition to the rhombohedral (R) phase was inhibited for a majority of the structure. Elastic measurements (and the opening of a hysteresis in magnetization data on a pressed pellet) showed that an AFM transition is clearly present below $\sim$50 K, coexisting with the R-type FM order. Inelastic measurements showed a decrease in magnon energy compared to the R phase, consistent with a smaller interlayer magnetic coupling in M-type stacking. A gap remains at the Dirac point, suggesting that the same nontrivial magnon topology reported for the R phase may be present in the M phase as well.

cond-mat.mtrl-sci↗
arXiv2023

SEEMS: A Single Event Effects and Muon Spectroscopy facility at the Spallation Neutron Source

This manuscript outlines a concept that would leverage the existing proton accelerator at the Spallation Neutron Source of Oak Ridge National Laboratory to enable transformative science via one world-class facility serving two missions: Single Event Effects (SEE) and Muon Spectroscopy ($μ$SR). The $μ$SR portion would deliver the world's highest flux and highest resolution pulsed muon beams for materials characterization purposes, with precision and capabilities well beyond comparable facilities. The SEE capabilities deliver neutron, proton and muon beams for aerospace industries that are facing an impending challenge to certify equipment for safe and reliable behavior under bombardment from atmospheric radiation originating from cosmic and solar rays. With negligible impact on the primary neutron scattering mission of the SNS, the proposed facility will have enormous benefit for science and industry alike. We have designated this facility 'SEEMS'.

physics.ins-det↗
arXiv2023

Investigating the magneto-elastic properties in FeSn and Fe$_{3}$Sn$_{2}$ flat band metals

Topological quantum magnets FeSn and Fe$_{3}$Sn$_{2}$ were studied using neutron scattering and first-principles calculations. Both materials are metallic but host dispersionless flat bands with Dirac nodes at the $K$ point in reciprocal space. The local structure determined from the pair density function analysis of the neutron diffraction data provided no evidence for electron localization in both compounds, consistent with their metallic nature. At the same time, in FeSn, an anomalous suppression in the $c$-axis lattice constant coupled with changes in the phonon spectra were observed across T$_{N}$ indicating the presence of magneto-elastic coupling and spin-phonon interactions. In addition, it was observed that spin waves persisted well above T$_{N}$, suggesting that the in-plane ferromagnetic spin correlations survive at high temperatures. In contrast, no lattice anomaly was observed in Fe$_{3}$Sn$_{2}$. The inelastic signal could be mostly accounted for by phonons, determined from density functional theory, showing typical softening on warming.

cond-mat.mtrl-sci↗
arXiv2022

A structural hysteresis in the charge density wave transition of 1T-TaS2

In quasi-two-dimensional 1T-TaS2, a charge density wave (CDW) prototype, the transition occurs in two steps, from incommensurate (ICDW) and nearly commensurate (NCCDW) and from NCDW to commensurate (CCDW), locked in the resistivity step-wise behavior. The hysteresis observed in the resistivity across the NCDW-to-CCDW transition has roots to a structural hysteresis, where local distortions of the sqrt(13)a x sqrt(13)a superstructure are revealed by neutron and X-ray diffraction. The structural hysteresis is due to faulty stars of David (SODs) because of Ta displacements away from the perfect trigonal geometry as well as out of plane S distortions. Furthermore, the superstructure exhibits a 3co layer stacking order that weakens on warming and fully disappears in the ICDW state.

cond-mat.str-el↗
arXiv2022

Emergence of Layer Stacking Disorder in c-axis Confined MoTe$_2$

The layer stacking order in 2D materials strongly affects functional properties and holds promise for next generation electronic devices. In bulk, octahedral MoTe$_2$ possesses two stacking arrangements, the Weyl semimetal T$_d$ phase, and the higher-order topological insulator 1T' phase; however, it remains unclear if thin exfoliated flakes of MoTe$_2$ follow the T$_d$, 1T', or an alternative stacking sequence. Here, we resolve this debate using atomic-resolution imaging within the transmission electron microscope. We find that the layer stacking in thin flakes of MoTe$_2$ is highly disordered and pseudo-random, which we attribute to intrinsic confinement effects. Conversely, WTe$_2$, which is isostructural and isoelectronic to MoTe$_2$, displays ordered stacking even for thin exfoliated flakes. Our results are important for understanding the quantum properties of MoTe$_2$ devices, and suggest that thickness may be used to alter the layer stacking in other 2D materials.

cond-mat.mtrl-sci↗
arXiv2021

Lattice and magnetic dynamics in YVO$_{3}$ Mott insulator studied by neutron scattering and first-principles calculations

The Mott insulator YVO$_{3}$ with $T_{N}$ = 118 K is revisited to explore the role of spin, lattice and orbital correlations across the multiple structural and magnetic transitions observed as a function of temperature. Upon cooling, the crystal structure changes from orthorhombic to monoclinic at 200 K, and back to orthorhombic at 77 K, followed by magnetic transitions. From the paramagnetic high temperature phase, C-type ordering is first observed at 118 K, followed by a G-type spin re-orientation transition at 77 K. The dynamics of the transitions were investigated via inelastic neutron scattering and first principles calculations. An overall good agreement between the neutron data and calculated spectra was observed. From the magnon density of states, the magnetic exchange constants were deduced to be $J_{ab}$ = $J_{c}$ = -5.8 meV in the G-type spin phase, and $J_{ab}$ = -3.8 meV, $J_{c}$ = 7.6 meV at 80 K and $J_{ab}$ = -3.0 meV, $J_{c}$ = 6.0 meV at 100 K in the C-type spin phase. Paramagnetic scattering was observed in the spin ordered phases, well below the C-type transition temperature, that continuously increased above the transition. Fluctuations in the temperature dependence of the phonon density of states were observed between 50 and 80 K as well, coinciding with the G-type to C-type transition. These fluctuations are attributed to optical oxygen modes above 40 meV, from first principles calculations. In contrast, little change in the phonon spectra is observed across $T_{N}$.

cond-mat.str-el↗
arXiv2021

Charge-ordered state satisfying the Anderson condition in LiRh2O4 arising from local dimer order

We report on the charge-ordered structure of LiRh2O4 arising below the metal-insulator transition at 170 K. Structural studies using synchrotron X-rays have revealed that the charge-ordered states of Rh3+ and Rh4+ with dimerization are realized in the low-temperature phase below 170 K. Although the low-temperature ground state resembles that of CuIr2S4, a charge ordering pattern satisfying the Anderson condition is realized in LiRh2O4. Based on structural information such as the short-range order of dimers appearing above the transition temperature and the weakening of the correlation between rhodium one-dimensional chains appearing in the crystal structure, we argue that the Coulomb interaction plays an important role in determining the charge ordering patterns.

cond-mat.str-el↗
arXiv2021

Large change of interlayer vibrational coupling with stacking in Mo$_{1-x}$W$_{x}$Te$_{2}$

Stacking variations in quasi-2D materials can have an important influence on material properties, such as changing the topology of the band structure. Unfortunately, the weakness of van der Waals interactions makes it difficult to compute the stacking dependence of properties, and even in a material as simple as graphite the stacking energetics remain unclear. Mo$_{1-x}$W$_{x}$Te$_{2}$ is a material in which three differently-stacked phases are conveniently accessible by temperature changes: $1T^{\prime}$, $T^*_d$, and the reported Weyl semimetal phase $T_d$. The transitions proceed via layer sliding, and the corresponding interlayer shear mode (ISM) is relevant not just for the stacking energetics, but for understanding the relationship between the Weyl physics and structural changes. However, the interlayer interactions of Mo$_{1-x}$W$_{x}$Te$_{2}$ are not well understood, with wide variation in computed properties. We report inelastic neutron scattering of the ISM in a Mo$_{0.91}$W$_{0.09}$Te$_{2}$ crystal. The ISM energies are generally consistent with the linear chain model (LCM), as expected given the weak interlayer interaction, though there are some discrepancies from predicted intensities. However, the interlayer force constants $K_x$ in the $T^*_d$ and $1T^{\prime}$ phases are substantially weaker than that of $T_d$, at 76(3)% and 83(3)%, respectively. Considering that the relative positioning of atoms in neighboring layers is approximately the same regardless of overall stacking, our results suggest that longer-range influences, such as stacking-induced band structure changes, may be responsible for the substantial change in the interlayer vibrational coupling. These findings should elucidate the stacking energetics of Mo$_{1-x}$W$_{x}$Te$_{2}$ and other van der Waals layered materials.

cond-mat.mtrl-sci↗
arXiv2021

Gapless Dirac magnons in CrCl$_{3}$

Bosonic Dirac materials are testbeds for dissipationless spin-based electronics. In the quasi two-dimensional honeycomb lattice of CrX$_{3}$ (X=Cl, Br, I), Dirac magnons have been predicted at the crossing of acoustical and optical spin waves, analogous to Dirac fermions in graphene. Here we show that, distinct from CrBr$_{3}$ and CrI$_{3}$, gapless Dirac magnons are present in bulk CrCl$_{3}$, with inelastic neutron scattering intensity at low temperatures approaching zero at the Dirac $K$ point. Upon warming, magnon-magnon interactions induce strong renormalization and decreased lifetimes, with a ~25% softening of the upper magnon branch intensity from 5 to 50 K, though magnon features persist well above T$_{N}$. Moreover, an unusual negative thermal expansion (NTE) of the $a$-axis lattice constant and anomalous phonon behavior are observed below 50 K, indicating magnetoelastic and spin-phonon coupling arising from an increase in the in-plane spin correlations that begins tens of Kelvin above T$_{N}$.

cond-mat.mtrl-sci↗