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Register a new userUniform structural phase transition in V$_2$O$_3$ without short-range distortions of the local structure
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The local structure of V$_{2}$O$_{3}$, an archetypal strongly correlated electron system that displays a metal-insulator transition around 160 K, has been investigated via pair distribution function (PDF) analysis of neutron and x-ray total scattering data. The rhombohedral-to-monoclinic structural phase transition manifests as an abrupt change on all length scales in the observed PDF. No monoclinic distortions of the local structure are found above the transition, although coexisting regions of phase-separated rhombohedral and monoclinic symmetry are observed between 150 K and 160 K. This lack of structural fluctuations above the transition contrasts with the known presence of magnetic fluctuations in the high-temperature state, suggesting that the lattice degree of freedom plays a secondary role behind the spin degree of freedom in the transition mechanism.
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We present a coordinated study of the paramagnetic-to-antiferromagnetic, rhombohedral-to-monoclinic, and metal-to-insulator transitions in thin-film specimens of the classic Mott insulator V$_2$O$_3$ using low-energy muon spin relaxation, x-ray diffraction, and nanoscale-resolved near-field infrared spectroscopic techniques. The measurements provide a detailed characterization of the thermal evolution of the magnetic, structural, and electronic phase transitions occurring in a wide temperature range, including quantitative measurements of the high- and low-temperature phase fractions for each transition. The results reveal a stable coexistence of the high- and low-temperature phases over a broad temperature range throughout the transition. Careful comparison of temperature dependence of the different measurements, calibrated by the resistance of the sample, demonstrates that the electronic, magnetic, and structural degrees of freedom remain tightly coupled to each other during the transition process. We also find evidence for antiferromagnetic fluctuations in the vicinity of the phase transition, highlighting the important role of the magnetic degree of freedom in the metal-insulator transition.
In this work, we investigate the representative case of the homometallic Co ludwigite Co$^{2+}_2$Co$^{3+}$O$_2$BO$_3$ ($Pbam$ space group) with four distinct Co crystallographic sites [$M1$-$M4$] surrounded by oxygen octahedra. The mixed-valent character of the Co ions up to at least $T=873$ K is verified through x-ray absorption near-edge structure (XANES) experiments. Single crystal x-ray diffraction (XRD) and neutron powder diffraction (NPD) confirm that the Co ions at the $M4$ site are much smaller than the others at low temperatures, consistent with a Co$^{3+}$ oxidation state at $M4$ and Co$^{2+}$ at the remaining sites. The size difference between the Co ions in the $M4$ and $M2$ sites is continuously reduced upon warming above $approx 370$ K, indicating a gradual charge redistribution within the $M4$-$M2$-$M4$ (424) ladder in the average structure. An increasing structural disorder, is noted above $approx 370$ K, The local Co-O distance distribution, revealed by Co $K$-edge Extended X-Ray Absorption Fine Structure (EXAFS) data and analyzed with an evolutionary algorithm method, is similar to that inferred from the XRD crystal structure below $approx 370$ K. At higher temperatures, the local Co-O distance distribution remains similar to that found at low temperatures, at variance with the average crystal structure obtained with XRD. We conclude that the oxidation states Co$^{2+}$ and Co$^{3+}$ are instantaneously well defined in a local atomic level at all temperatures, however the thermal energy promotes local defects in the charge-ordered configuration of the 424 ladders upon warming. These defects coalesce into a phase-segregated state within a narrow temperature interval ($475< T < 495$ K). Finally, a transition at $approx 500$ K revealed by differential scanning calorimetry (DSC) in the iron ludwigite Fe$_3$O$_2$BO$_3$ is discussed.
We present an experimental and theoretical study exploring surface effects on the evolution of the metal-insulator transition in the model Mott-Hubbard compound Cr-doped V$_2$O$_3$. We find a microscopic domain formation that is clearly affected by the surface crystallographic orientation. Using scanning photoelectron microscopy and X-ray diffraction, we find that surface defects act as nucleation centers for the formation of domains at the temperature-induced isostructural transition and favor the formation of microscopic metallic regions. A density functional theory plus dynamical mean field theory study of different surface terminations shows that the surface reconstruction with excess vanadyl cations leads to doped, and hence more metallic surface states, explaining our experimental observations.
Since the seminal ideas of Berezinskii, Kosterlitz and Thouless, topological excitations are at the heart of our understanding of a whole novel class of phase transitions. In most of the cases, those transitions are controlled by a single type of topological objects. There are however some situations, still poorly understood, where two dual topological excitations fight to control the phase diagram and the transition. Finding experimental realization of such cases is thus of considerable interest. We show here that this situation occurs in BaCo$_2$V$_2$O$_8$, a spin-1/2 Ising-like quasi-one dimensional antiferromagnet when subjected to a uniform magnetic field transverse to the Ising axis. Using neutron scattering experiments, we measure a drastic modification of the quantum excitations beyond a critical value of the magnetic field. This quantum phase transition is identified, through a comparison with theoretical calculations, to be a transition between two different types of solitonic topological objects, which are captured by different components of the dynamical structure factor.
The lattice properties at low temperatures of two samples of NdFeAsO1-xFx (x=0.05 and 0.25) have been examined in order to investigate possible structural phase transition that may occur in the optimally doped superconducting sample with respect to the non-superconducting low-F concentration compound. In order to detect small modifications in the ion displacements with temperature micro-Raman and high resolution synchrotron powder diffraction measurements were carried out. No increase of the width of the (220) or (322) tetragonal diffraction peaks and microstrains could be found in the superconducting sample from synchrotron XRD measurements. On the other hand, the atomic displacement parameters deviate from the expected behavior, in agreement with modifications in the phonon width, as obtained by Raman scattering. These deviations occur around 150 K for both F dopings, with distinct differences among the two compounds, i.e., they decrease at low doping and increase for the superconducting sample. The data do not support a hidden phase transition to an orthorhombic phase in the superconducting compound, but point to an isostructural lattice deformation. Based on the absence of magnetic effects in this temperature range for the superconducting sample, we attribute the observed lattice anomalies to the formation of local lattice distortions that, being screened by the carriers, can only acquire long-range coherence by means of a structural phase transition at low doping levels.
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