arXiv subjects

Elisabetta Nocerino

Publications and source records attributed to Elisabetta Nocerino.

At least 19 recordsLinked to original sources

arXiv2025

Topological Metal-Insulator Transition within the Ferromagnetic state

A major challenge in condensed matter physics is integrating topological phenomena with correlated electron physics to leverage both types of states for next-generation quantum devices. Metal-insulator transitions (MITs) are central to bridging these two domains while simultaneously serving as 'on-off' switches for electronic states. Here, we demonstrate how the prototypical material of K2Cr8O16 undergoes a ferromagnetic MIT accompanied by a change in band topology. Through inelastic x-ray and neutron scattering experiments combined with first-principles theoretical calculations, we demonstrate that this transition is not driven by a Peierls mechanism, given the lack of phonon softening. Instead, we establish the transition as a topological MIT within the ferromagnetic phase (topological-FM-MIT) with potential axionic properties, where electron correlations play a key role in stabilizing the insulating state. This work pioneers the discovery of a topological-FM-MIT and represents a fundamentally new class of topological phase transitions, revealing a unique pathway through which magnetism, topology, and electronic correlations interact.

cond-mat.str-el↗

arXiv2025

Emergent properties and the multiscale characterization challenge in condensed matter, from crystals to complex materials: a Review

The complexity of condensed matter arises from emergent behaviors that cannot be understood by analyzing individual constituents in isolation. While traditional condensed-matter approaches-developed primarily for ideal crystalline solids-have provided deep insights into symmetry, order, and electronic structure, they fall short in describing the rich, multiscale organization of hierarchical and soft materials. These systems exhibit structural correlations across multiple length and time scales, often governed by nonlinear interactions that span from molecular to macroscopic domains. This review explores how the convergence of emerging experimental and computational strategies are redefining our ability to characterize and model such systems. We examine how multimodal techniques-combining scattering, imaging, and spectroscopy-can map structural order and dynamics across scales, with methods like small-angle scattering tensor tomography, dark-field imaging, and ultrafast spectroscopies providing unprecedented spatiotemporal resolution. On the computational front, machine learning approaches such as graph neural networks, neural operators, and physics-informed models offer powerful tools to connect disparate scales and uncover hidden correlations in high-dimensional data. These advancements have the potential to close the gap between structure and function in complex materials, thereby addressing one of the grand challenges of contemporary material science: understanding and engineering multiscale architectures, whose emergent properties underpin the behavior of next-generation functional materials, biological systems, and adaptive technologies.

cond-mat.mtrl-sci↗

arXiv2025

Characterization of Nuclear and Magnetic Structures of Wolframite-Type MgReO4 and ZnReO4

We utilized high-pressure methods to synthesize the oxides AReO$4$ (A=Zn, Mg) and characterized their crystal structures as monoclinic wolframite-type. By combining muon spin spectroscopy ($μ^+$SR) with DFT calculations for muon stopping sites, we identify two possible magnetic spin structures for both compounds: $Γ_3$ with the propagation vector $\mathbf{k} = (0,1/2,0)$ and $Γ_4$ with $\mathbf{k} = (0,0,0)$. In both cases, the magnetic moments are canted from the principal axes within the $ac$-plane. The ordered moment of the proposed structures is $\mathbf{0.29(5)~μ\mathrm{B}}$ for $Γ_3$ and $\mathbf{0.25(8)~μ_\mathrm{B}}$ for $Γ_4$. The low moment is consistent with the absence of a magnetic contribution to the neutron powder diffraction (NPD) spectra. Bond valence sum (BVS) analysis supports the oxidation state of Re being Re$^{6+}$ in the compounds, and we suggest that a combination of $t_\mathrm{2g}$ orbital splitting due to spin-orbit coupling (SOC) and $d$-$p$ orbital hybridization is responsible for the strongly suppressed ordered magnetic moment.

cond-mat.mtrl-sci↗

arXiv2024

3D Imaging of directional multi-scale cellulose nanostructures through multi-directional dark-field neutron tomography

Hierarchical biomaterials embody nature's intricate design principles, offering advanced functionalities through the complex, multi-level organization of their molecular and nanosized building blocks. However, the comprehensive characterization of their 3D structure remains a challenge, particularly due to radiation damage caused by conventional X-ray- and electron-based imaging techniques, as well as due to the length scale limitations of scattering-based investigation methods. Here, we present a study utilizing multi-directional dark-field neutron imaging in tomographic mode to visualize the 3D nanoarchitecture of nanocellulose solid foams, a class of sustainable materials possessing complex and highly tunable hierarchical structures. By exploiting the unique properties of neutrons as a probe, this non-destructive method circumvents the inherent limitations of damage-inducing ionizing radiation, preserving the structural and chemical integrity of the biomaterials, and allowing for truly multiscale characterization of the spatial orientation and distribution of cellulose nano fibrils within large-volume samples. In particular, the study showcases the 3-dimensional anisotropic orientation and degree of alignment of nanofibrils with different crystallinity, across various length scales, from nanometers to centimeters. This approach offers a valuable and generally applicable tool for multi-scale characterisation of biobased materials where complex nanoscale arrangements inform macroscopic properties.

cond-mat.mes-hall↗

arXiv2024

Tuning of Charge Order by Uniaxial Stress in a Cuprate Superconductor

Strongly correlated electron materials are often characterized by competition and interplay of multiple quantum states. For example, in high-temperature cuprate superconductors unconventional superconductivity, spin- and charge-density wave orders coexist. A key question is whether competing states coexist on the atomic scale or if they segregate into distinct 'islands'. Using X-ray diffraction, we investigate the competition between charge order and superconductivity in the archetypal cuprate La(2-x)BaxCuO4, around the x = 1/8-doping, where uniaxial stress restores optimal 3D superconductivity at approximately 0.06 GPa. We find that the charge order peaks and the correlation length along the stripe are strongly reduced up to the critical stress, above which they stay constant. Simultaneously, the charge order onset temperature only shows a modest decrease. Our findings suggest that optimal 3D superconductivity is not linked to the absence of charge stripes but instead requires their arrangement into smaller 'islands'. Our results provide insight into the length scales over which the interplay between superconductivity and charge order takes place.

cond-mat.supr-con↗

arXiv2023

Synthesis and Anisotropic Magnetic Properties of LiCrTe$_2$ Single Crystals with a Triangular-Lattice Antiferromagnetic Structure

We report on the synthesis of LiCrTe$_2$ single crystals and on their anisotropic magnetic properties. We have obtained these single crystals by employing a Te/Li-flux synthesis method. We find LiCrTe$_2$ to crystallize in a TlCdS$_2$ -type structure with cell parameters of $a$ = 3.9512(5) Å and $c$ = 6.6196(7) Å at $T$ = 175 K. The content of lithium in these crystals was determined to be near stoichiometric by means of neutron diffraction. We find a pronounced magnetic transition at $T^{\rm ab}_{\rm N}$ = 144 K and $T^{\rm c}_{\rm N}$ = 148 K, respectively. These transition temperatures are substantially higher than earlier reports on polycrystalline samples. We have performed neutron powder diffraction measurements that reveal that the long-range low-temperature magnetic structure of single crystalline LiCrTe$_2$ is an A-type antiferromagnetic (AFM) structure. Our DFT calculations are in good agreement with these experimental observations. We find the system to be easy axis with moments oriented along the $c$-direction experimentally as well as in our calculations. Thereby, the magnetic Hamiltonian can be written as $H = H_{\rm Heisenberg} + \sum_i K_c (S_i^z)^2$ with $K_c=-0.34K$ (where $|S^z|=\frac{3}{2}$). We find LiCrTe$_2$ to be highly anisotropic, with a pronounced metamagnetic transition for $H \perp ab$ with a critical field of $μH_{MM}$(5 K) $\approx$ 2.5 T. Using detailed orientation-dependent magnetization measurements, we have determined the magnetic phase diagram of this material. Our findings suggest that LiCrTe$_2$ is a promising material for exploring the interplay between crystal structure and magnetism, and could have potential applications in spin-based 2D devices.

cond-mat.mtrl-sci↗

arXiv2023

Non-Conventional Critical Behavior and Q-dependent Electron-Phonon Coupling Induced Phonon Softening in the CDW Superconductor LaPt2Si2

This paper reports the first experimental observation of phonons and their softening on single crystalline LaPt$_2$Si$_2$ via inelastic neutron scattering. From the temperature dependence of the phonon frequency in close proximity to the charge-density wave (CDW) $q$-vector, we obtain a CDW transition temperature of T$_{CDW}$ = 230 K and a critical exponent $β$ = 0.28 $\pm$ 0.03. This value is suggestive of a non-conventional critical behavior for the CDW phase transition in LaPt$_2$Si$_2$, compatible with a scenario of CDW discommensuration (DC). The DC would be caused by the existence of two CDWs in this material, propagating separately in the non equivalent (Si1-Pt2-Si1) and (Pt1-Si2-Pt1) layers respectively, with transition temperatures T$_{CDW-1}$ = 230 K and T$_{CDW-2}$ = 110 K. A strong $q$-dependence of the electron-phonon coupling has been identified as the driving mechanism for the CDW transition at T$_{CDW-1}$ = 230 K while a CDW with 3-dimensional character, and Fermi surface quasi-nesting as a driving mechanism, is suggested for the transition at T$_{CDW-2}$ = 110 K. Our results clarify some aspects of the CDW transition in LaPt$_2$Si$_2$, which have been so far misinterpreted by both theoretical predictions and experimental observations, and give direct insight into its actual temperature dependence.

cond-mat.supr-con↗

arXiv2022

Confirming the high pressure phase diagram of the Shastry-Sutherland model

A Muon Spin Rotation ($μ$+SR) study was conducted to investigate the magnetic properties of SrCu2(BO3)2 (SCBO) as a function of temperature/pressure. Measurements in zero field and transverse field confirm the absence of long range magnetic order at high pressures and low temperatures. These measurements suggest changes in the Cu spin fluctuations characteristics above 21 kbar, consistent with the formation of a plaquette phase as previously suggested by inelastic neutron scattering measurements. SCBO is the only known realisation of the Shatry-Sutherland model, thus the ground state mediating the dimer and antiferromagnetic phase is likekly to be a plaquette state.

cond-mat.str-el↗

arXiv2022

Magnetic Properties of Multifunctional $^7$LiFePO$_4$ under Hydrostatic Pressure

LiFePO$_4$ (LFPO) is an archetypical and well-known cathode material for rechargeable Li-ion batteries. However, its quasi-one-dimensional (Q1D) structure along with the Fe ions, LFPO also displays interesting low-temperature magnetic properties. Our team has previously utilized the muon spin rotation ($μ^+$SR) technique to investigate both magnetic spin order as well as Li-ion diffusion in LFPO. In this initial study we extend our investigation and make use of high-pressure $μ^+$SR to investigate effects on the low-$T$ magnetic order. Contrary to theoretical predictions we find that the magnetic ordering temperature as well as the ordered magnetic moment increase at high pressure (compressive strain).

cond-mat.str-el↗

arXiv2022

Engineering a pure Dirac regime in ZrTe$_5$

Real-world topological semimetals typically exhibit Dirac and Weyl nodes that coexist with trivial Fermi pockets. This tends to mask the physics of the relativistic quasiparticles. Using the example of ZrTe5, we show that strain provides a powerful tool for in-situ tuning of the band structure such that all trivial pockets are pushed far away from the Fermi energy, but only for a certain range of Van der Waals gaps. Our results naturally reconcile contradicting reports on the presence or absence of additional pockets in ZrTe$_5$, and provide a clear map of where to find a pure three-dimensional Dirac semimetallic phase in the structural parameter space of the material.

cond-mat.mtrl-sci↗

arXiv2022

Structural Evolution and Onset of the Density Wave Transition in the CDW Superconductor LaPt$_2$Si$_2$ Clarified with Synchrotron XRD

The quasi-2D Pt-based rare earth intermetallic material LaPt$_2$Si$_2$ has attracted attention as it exhibits strong interplay between charge density wave (CDW) and and superconductivity (SC). However, the most of the results reported on this material come from theoretical calculations, preliminary bulk investigations and powder samples, which makes it difficult to uniquely determine the temperature evolution of its crystal structure and, consequently, of its CDW transition. Therefore, the published literature around LaPt$_2$Si$_2$ is often controversial. In this paper, we clarify the complex evolution of the crystal structure, and the temperature dependence of the development of density wave transitions, in good quality LaPt$_2$Si$_2$ single crystals, with high resolution synchrotron X-ray diffraction data. According to our findings, on cooling from room temperature LaPt$_2$Si$_2$ undergoes a series of subtle structural transitions which can be summarised as follows: second order commensurate tetragonal ($P4/nmm$)-to-incommensurate structure followed by a first order incommensurate-to-commensurate orthorhombic ($Pmmn$) transition and then a first order commensurate orthorhombic ($Pmmn$)-to-commensurate tetragonal ($P4/nmm$). The structural transitions are accompanied by both incommensurate and commensurate superstructural distortions of the lattice. The observed behavior is compatible with discommensuration of the CDW in this material.

cond-mat.str-el↗

arXiv2022

Revised Magnetic Structure and Tricritical Behavior of the CMR Compound NaCr$_2$O$_4$ Investigated with High Resolution Neutron Diffraction and $μ^+$SR

The mixed valence Cr compound NaCr$_2$O$_4$, synthesized using a high-pressure technique, offers a unique playground for investigating unconventional physical properties in condensed matter. In the present study, muon spin rotation/relaxation ($μ^+$SR) and high-resolution neutron powder diffraction (NPD) measurements were carried out to clarify the true magnetic ground state of this interesting compound. Our detailed study brings new insight, allowing us to confirm the existence of a commensurate antiferromagnetic order (C-AFM) and to extract its ordered Cr moment $μ^{\rm C}_{\rm Cr}=(4.30\pm0.01)μ_B$. Such a value of the ordered moment is in fact compatible with the existence of high-spin Cr sites. Further, the value of the canting angle of the Cr spin axial vector is refined as $θ_{\rm c}=(8.8\pm0.5)^{\circ}$. Employing high-quality samples in combination with time-of-flight NPD, a novel magnetic supercell was also revealed. Such supercell display an incommensurate (IC)-AFM propagation vector (0~0~${\textstyle \frac{1}{2}-}δ$), having an ordered moment $μ^{\rm IC}_{\rm Cr}=(2.20\pm0.03)μ_B$. It is suggested that the C-AFM and IC-AFM modulations are due to itinerant and localized contributions to the magnetic moment, respectively. Finally, the direct measurement of the magnetic order parameter provided a value of the critical exponent $β= 0.245 \approx \frac{1}{4}$, suggesting a non conventional critical behavior for the magnetic phase transition in NaCr$_2$O$_4$.

cond-mat.str-el↗

arXiv2022

Na-ion Dynamics in the Solid Solution Na$_{\rm x}$Ca$_{1- \rm x}$Cr$_2$O$_4$ Studied by Muon Spin Rotation and Neutron Diffraction

In this work we present systematic set of measurements carried out by muon spin rotation/relaxation ($μ^+$SR) and neutron powder diffraction (NPD) on the solid solution Na$_{\rm x}$Ca$_{1- \rm x}$Cr$_2$O$_4$. This study investigates Na-ion dynamics in the quasi-1D (Q1D) diffusion channels created by the honeycomb-like arrangement of CrO$_6$ octahedra, in the presence of defects introduced by Ca doping. With increasing Ca content, the size of the diffusion channels is enlarged, however, this effect does not enhance the Na ion mobility. Instead the overall diffusivity is hampered by the local defects and the Na hopping probability is lowered. The diffusion mechanism in Na$_{\rm x}$Ca$_{1- \rm x}$Cr$_2$O$_4$ was found to be interstitial and the activation energy as well as diffusion coefficient were determined for all the members of the solid solution.

cond-mat.mtrl-sci↗

arXiv2022

Magnetic nature of wolframite MgReO$_4$

Rhenium oxides belonging to the family $A$ReO$_4$ where $A$ is a metal cation, exhibit interesting electronic and magnetic properties. In this study we have utilized the muon spin rotation/relaxation ($μ^+$SR) technique to study the magnetic properties of the MgReO$_4$ compound. To the best of our knowledge, this is the first investigation reported on this interesting material, that is stabilized in a wolframite crystal structure using a special high-pressure synthesis technique. Bulk magnetic studies show the onset of an antiferromagnetic (AF) long range order, or a possible singlet spin state at $T_{\rm C1}\approx90$~K, with a subtle second high-temperature transition at $T_{\rm C2}\approx280$~K. Both transitions are also confirmed by heat capacity ($C_p$) measurements. From our $μ^+$SR measurements, it is clear that the sample enters an AF order below $T_{\rm C1}=T_{\rm N}\approx85$~K. We find no evidence of magnetic signal above $T_{\rm N}$, which indicates that $T_{\rm C2}$ is likely linked to a structural transition. Further, via sensitive zero field (ZF) $μ^+$SR measurements we find evidence of a spin reorientation at $T_{\rm Cant}\approx65$~K. This points towards a transition from a collinear AF into a canted AF order at low temperature, which is proposed to be driven by competing magnetic interactions.

cond-mat.str-el↗

arXiv2022

Influence of the Magnetic Sub-Lattices in the Double Perovskite Compound LaCaNiReO$_6$

The magnetism of double perovskites is a complex phenomenon, determined from intra- or interatomic magnetic moment interactions, and strongly influenced by geometry. We take advantage of the complementary length and time scales of the muon spin rotation, relaxation and resonance ($μ^+$SR) microscopic technique and bulk AC/DC magnetic susceptibility measurements to study the magnetic phases of the LaCaNiReO$_6$ double perovskite. As a result we are able to discern and report a newly found dynamic phase transition and the formation of magnetic domains below and above the known magnetic transition of this compound at T$_N$ = 103 K. $μ^+$SR, serving as a local probe at crystallographic interstitial sites, reveals a transition from a metastable ferrimagnetic ordering below T = 103 K to a stable one below T = 30 K. The fast and slow collective dynamic state of this system are investigated. Between 103 K < T < 230 K, the following two magnetic environments appear, a dense spin region and a static-dilute spin region. The paramagnetic state is obtained only above T > 270 K. An evolution of the interaction between Ni and Re magnetic sublattices in this geometrically frustrated fcc perovskite structure, is revealed as a function of temperature and magnetic field, through the critical behaviour and thermal evolution of microscopic and macroscopic physical quantities.

cond-mat.str-el↗

arXiv2022

Resonant Soft X-Ray Scattering on LaPt$_2$Si$_2$

X-ray absorption (XAS) and Resonant Inelastic X-ray Scattering (RIXS) spectra of LaPt$_2$Si$_2$ single crystal at the Si L and La N edges are presented. The data are interpreted in terms of density functional theory, showing that the Si spectra can be described in terms of Si $s$ and $d$ local partial density of states (LPDOS), and the La spectra are due to quasi-atomic local $4f$ excitations. Calculations show that Pt $d$-LPDOS dominates the occupied states, and a sharp localized La $f$ state is found in the unoccupied states, in line with the observations.

cond-mat.mtrl-sci↗

arXiv2021

Charge Order Stabilized Quantum Spin Liquid in Hollandite K$_2$V$_8$O$_{16}$

Quantum spin liquid is an elusive state that display strong many-body entanglement with potential applications in future quantum computing. This study reports muon spin relaxation ($μ^+$SR) measurements on a novel high-pressure synthesized material, the Hollandite K$_{2}$V$_8$O$_{16}$. In this quasi-one-dimensional compound, charge ordering (CO) at $T_{\rm MIT}\approx160$~K effectively isolates half of the vanadium chains and model-like Heisenberg spin-1/2 chains are realized. Our zero field $μ^+$SR measurements show exponential like relaxation down to the lowest temperature $T=100$~mK and the absence of long range ordering is confirmed. The relaxation rate is found to be temperature independent below $T_{\rm QSL}\approx2$~K and measurements in longitudinal field confirms a highly dynamic ground state. These results represents the first confirmation of quantum spin liquid (QSL) behavior within the Hollandite family, stabilized by the CO. Finally, the presence of strong local electron correlation and one dimensional Fermi surface suggest this QSL to be a gapless Tomonaga-Luttinger liquid (TLL), which here uniquely presents itself in a stoichiometric compound under zero applied magnetic field and at ambient pressure.

cond-mat.str-el↗

arXiv2021

Spin dynamics in the Van der Waals magnet CrCl$_3$

The magnetic nature of low dimensional compound, CrCl$_3$, was investigated by muon spin rotation, relaxation and resonance ($μ^+$SR). The $μ^+$SR measurements revealed three distinct phases as a function of temperature: an antiferromagnetic state (AF) for $T\leq T_{\rm N}=14.32(6)$~K, a ferromagnetic short range ordered state (FM-SRO) for $T_{\rm N}<T<\sim18$~K and a paramagnetic phase (PM) above $\sim18$~K. Moreover, the AF state exhibits appreciable spin dynamics, which increases with decreasing temperature below $T_{\rm N}$. These dynamics originate from out of plane fluctuations, which seem to settle for $9.5$~K$\leq T\leq T_{\rm N}$, evidenced from measurements in ZF and complementary local field calculations. Moreover, the presented muon Knight shift measurements just above $T_{\rm N}$ represent a clear microscopic evidence for the absence of the previously speculated long range quasi-2D FM order.

cond-mat.str-el↗