arXiv subjects

A. Muñoz

Publications and source records attributed to A. Muñoz.

16 recordsLinked to original sources

arXiv2026

Wigner negativity and stellar rank for SU(1,1) states

Quasiprobability distributions for systems endowed with SU(1,1) dynamical symmetry have received surprisingly little attention, despite the central role of this symmetry in two-photon physics, squeezed states, and nonlinear interferometry. Here, we fill this gap by constructing a full covariant family of $s$-ordered quasiprobability distributions defined on the two-sheeted hyperboloid, or equivalently, on the Poincaré unit disk via stereographic projection. A key result is that the Wigner function is strictly positive for all Perelomov SU(1,1) coherent states, in sharp contrast to the SU(2) case. This positivity endows Wigner negativity with an unambiguous operational meaning: any negative volume is a direct signature of genuinely quantum behavior. We further examine the stellar rank of SU(1,1) states, defined through the zeros of the Husimi $Q$-function, and show how it compares with Wigner negativity as a geometry-adapted witness of nonclassicality in this setting. We further introduce a hierarchy of generalized multipoles through a harmonic expansion of the density operator on the hyperboloid, providing a complementary framework for probing quantumness. This offers a comprehensive toolkit for characterizing and quantifying quantum resources in SU(1,1) systems.

quant-ph↗

arXiv2026

Spectroscopy of $^{11}$Be from the $^{10}$Be($d,p$) reaction measured in inverse kinematics by the AT-TPC in SOLARIS

The spectroscopy of $^{11}$Be is explored using the $^{10}$Be$(d,p)$$^{11}$Be transfer reaction performed in inverse kinematics at $9.6\,\MeV/u$ using the Active Target Time Projection Chamber (AT-TPC) inside the SOLARIS solenoid. This experiment is the first attempt at coupling the AT-TPC with SOLARIS to perform a high luminosity transfer reaction measurement without compromising excitation energy and scattering angle resolutions. The angular momentum transfer for states up to $3.40\,\MeV$ are determined from distorted-wave Born approximation analysis of the measured angular distributions, from which the corresponding spectroscopic factors are deduced. These factors are compared with those from various shell model interactions, and those for the $3.40\,\MeV$ state are consistent with a positive parity assignment. Recent \textit{ab initio} no-core configuration interaction (NCCI) calculations with various nucleon-nucleon interactions are presented for the low-lying positive parity states of $^{11}$Be. The excitation energies produced using the Daejeon16 interaction are in good agreement with those found from both this experiment and the literature, thus supporting a positive parity assignment. The $3.40\,\MeV$ state, if assigned a tentative $J^π=3/2^+$, would then correspond to the second excited state of the $K^P=1/2^+$ one-neutron halo ground state rotational band also predicted from such NCCI calculations.

nucl-ex↗

arXiv2024

Characterization of the optical model of the T2K 3D segmented plastic scintillator detector

The magnetised near detector (ND280) of the T2K long-baseline neutrino oscillation experiment has been recently upgraded aiming to satisfy the requirement of reducing the systematic uncertainty from measuring the neutrinonucleus interaction cross section, which is the largest systematic uncertainty in the search for leptonic charge-parity symmetry violation. A key component of the upgrade is SuperFGD, a 3D segmented plastic scintillator detector made of approximately 2,000,000 optically-isolated 1 cm3 cubes. It will provide a 3D image of GeV neutrino interactions by combining tracking and stopping power measurements of final state particles with sub-nanosecond time resolution. The performance of SuperFGD is characterized by the precision of its response to charged particles as well as the systematic effects that might affect the physics measurements. Hence, a detailed Geant4 based optical simulation of the SuperFGD building block, i.e. a plastic scintillating cube read out by three wavelength shifting fibers, has been developed and validated with the different datasets collected in various beam tests. In this manuscript the description of the optical model as well as the comparison with data are reported.

hep-ex↗

arXiv2024

$α$-Al$_2$O$_3$ sapphire and rubies deformed by dual basal slip at intermediate temperatures (900C-1300$^\circ$C) -- II. dissociation and stacking faults

Sapphire and rubies (undoped and Cr-doped $α$-Al$_2$O$_3$ single crystals) have been deformed in compression at temperatures lower than those previously used in studies of dislocations in the basal slip plane (see part I). Above 1400$^\circ$C, several features associating stacking faults out of the basal planes and partial dislocations (dissociation, faulted dipoles) have been observed in previous transmission electron microscope investigations. The formation of these features involves climb controlled by atomic diffusion. Properties of climb dissociated dislocations are discussed in relation with dislocation dynamics. TEM examination of dislocation structures at lower deformation temperatures (1000-1100$^\circ$C) shows that similar features are formed but that they often imply cross-slip. A new mechanism for the formation of faulted dipole by glide is presented and an explanation for the 30° Peierls valley orientation is proposed. The presence of chromium has a small influence on stacking fault energies on planes perpendicular to the basal plane.

cond-mat.mtrl-sci↗

arXiv2022

Layered topological semimetal GaGeTe: new polytype with non-centrosymmetric structure

GaGeTe is a layered material composed of germanene and GaTe sublayers that has been recently predicted to be a basic Z2 topological semimetal. To date, only one polytype of GaGeTe is known with trigonal centrosymmetric structure (alpha phase, space group R-3m, No. 166). Here we show that as-grown samples of GaGeTe show traces of at least another polytype with hexagonal non-centrosymmetric structure (beta phase, space group P63mc, No. 186). Moreover, we suggest that another bulk hexagonal polytype (gamma phase, space group P-3m1, No. 164) could also be found near room conditions. Both alpha and beta polytypes have been identified and characterized by means of X-ray diffraction and Raman scattering measurements with the support of ab initio calculations. We provide the vibrational properties of both polytypes and show that the Raman spectrum reported for GaGeTe almost forty years ago and attributed to the alpha phase, was, in fact, that of the secondary beta phase. Additionally, we show that a Fermi resonance occurs in alpha-GaGeTe under non-resonant excitation conditions, but not under resonant excitation conditions. Theoretical calculations show that bulk beta-GaGeTe is a non-centrosymmetric weak topological semimetal with even smaller lattice thermal conductivity than centrosymmetric bulk alpha-GaGeTe. In perspective, our work paves the way for the control and engineering of GaGeTe polytypes to design and implement complex van der Waals heterostructures formed by a combination of centrosymmetric and non-centrosymmetric layers of up to three different polytypes in a single material, suitable for a number of fundamental studies and technological applications.

cond-mat.mtrl-sci↗

arXiv2022

Theoretical study of the stability of the tetradymite-like phases of Sb$_2$S$_3$, Bi$_2$S$_3$, and Sb$_2$Se$_3$

We report a comparative theoretical study of the \textit{Pnma} and \textit{R-3m} phases of Sb$_2$S$_3$, Bi$_2$S$_3$, and Sb$_2$Se$_3$ close to ambient pressure. Our enthalpy calculations at 0 K show that at ambient pressure the \textit{R-3m} (tetradymite-like) phase of Sb$_2$Se$_3$ is energetically more stable than the \textit{Pnma} phase, contrary to what is observed for Sb$_2$S$_3$ and Bi$_2$S$_3$, and irrespective of the exchange-correlation functional employed in the calculations. The result for Sb$_2$Se$_3$ is in contradiction to experiments where all three compounds are usually grown in the \textit{Pnma} phase. This result is further confirmed by free-energy calculations taking into account the temperature dependence of the unit-cell volumes and phonon frequencies. Lattice dynamics and elastic tensor calculations further show that both \textit{Pnma} and \textit{R-3m} phases of Sb$_2$Se$_3$ are dynamically and mechanically stable at zero applied pressure. Since these results suggest that the formation of the \textit{R-3m} phase for Sb$_2$Se$_3$ should be feasible at close to ambient conditions, we provide a theoretical crystal structure and simulated Raman and infrared spectra to help in its identification. We also discuss the results of the two published works that have claimed to have synthesized tetradymite-like Sb$_2$Se$_3$. Finally, the stability of the \textit{R-3m} phase across the three group-15 \textit{A$_2$X$_3$} sesquichalcogenides is analysed based on their van der Waals gap and X-X in-plane geometry.

cond-mat.mtrl-sci↗

arXiv2021

Anomalous Raman Modes in Tellurides

Two broad bands are usually found in the Raman spectrum of many Te-based chalcogenides, which include binary compounds, like ZnTe, CdTe, HgTe, GaTe, GeTe, SnTe, PbTe, GeTe2, As2Te3, Sb2Te3, Bi2Te3, NiTe2, IrTe2, TiTe2, as well as ternary compounds, like GaGeTe, SnSb2Te4, SnBi2Te4, and GeSb2Te5. Many different explanations have been proposed in the literature for the origin of these two anomalous broad bands in tellurides, usually located between 119 and 145 cm-1. They have been attributed to the own sample, to oxidation, to the folding of Brillouin-edge modes onto the zone center, to the existence of a double resonance, like that of graphene, or to the formation of Te precipitates. In this paper, we provide arguments to demonstrate that such bands correspond to clusters or precipitates of trigonal Te in form of nanosize or microsize grains or layers that are segregated either inside or at the surface of the samples. Several mechanisms for Te segregation are discussed and sample heating caused by excessive laser power during Raman scattering measurements is emphasized. Finally, we show that anomalous Raman modes related to Se precipitates also occur in selenides, thus providing a general vision for a better characterization of selenides and tellurides by means of Raman scattering measurements and for a better understanding of chalcogenides in general.

cond-mat.mtrl-sci↗

arXiv2021

NeuralSens: Sensitivity Analysis of Neural Networks

Neural networks are important tools for data-intensive analysis and are commonly applied to model non-linear relationships between dependent and independent variables. However, neural networks are usually seen as "black boxes" that offer minimal information about how the input variables are used to predict the response in a fitted model. This article describes the \pkg{NeuralSens} package that can be used to perform sensitivity analysis of neural networks using the partial derivatives method. Functions in the package can be used to obtain the sensitivities of the output with respect to the input variables, evaluate variable importance based on sensitivity measures and characterize relationships between input and output variables. Methods to calculate sensitivities are provided for objects from common neural network packages in \proglang{R}, including \pkg{neuralnet}, \pkg{nnet}, \pkg{RSNNS}, \pkg{h2o}, \pkg{neural}, \pkg{forecast} and \pkg{caret}. The article presents an overview of the techniques for obtaining information from neural network models, a theoretical foundation of how are calculated the partial derivatives of the output with respect to the inputs of a multi-layer perceptron model, a description of the package structure and functions, and applied examples to compare \pkg{NeuralSens} functions with analogous functions from other available \proglang{R} packages.

cs.LG↗

arXiv2019

Theoretical study of phase transitions in Sb2S3, Bi2S3 and Sb2Se3 under compression

We report a theoretical study of Sb2S3, Sb2Se3 and Bi2S3 sesquichalcogenides at hydrostatic pressures up to 60 GPa. We explore the possibility that the R-3m, C2/m, C2/c and Im-3m phases observed in sesquichalcogenides with heavier cations, viz. Bi2Se3, Bi2Te3 and Sb2Te3, could also be formed in the former compounds as suggested by recent experiments. Our calculations show that the C2/m and C2/c phases are energetically unstable in any of the three compounds and over the entire range of pressures examined. In contrast, the disordered bcc-like Im-3m phase is energetically stable at high pressures, but only the Sb2Se3 phase does not show dynamical instabilities below 60 GPa. Our calculations show that the Pnma structure is the most energetically stable Sb2S3 and Bi2S3 phase at ambient pressure whereas, surprisingly, the R-3m phase of Sb2Se3 is predicted to have the lowest enthalpy energy at 0 GPa, in contradiction to experimental evidence. Our calculations show that both Pnma and R-3m phases are dynamical and mechanically stable at room pressure. These results suggest that the formation of the R-3m phase in Sb2Se3 could be feasible at close to ambient conditions. To aid its identification, we provide a theoretical crystal structure (lattice and atomic parameters) and complete infrared and Raman spectra for this phase.

cond-mat.mtrl-sci↗

arXiv2019

Orpiment under compression: metavalent bonding at high pressure

We report a joint experimental and theoretical study of the structural, vibrational, and electronic properties of layered monoclinic arsenic sulfide (alpha-As2S3), aka mineral orpiment, under compression. X-ray diffraction and Raman scattering measurements performed in orpiment samples at high pressure and combined with ab initio calculations have allowed us to determine the equation of state and the tentative assignment of the symmetry of many Raman-active modes of orpiment. From our results, we conclude that no first-order phase transition occurs up to 25 GPa at room temperature; however, compression leads to an isostructural phase transition above 20 GPa. In fact, As coordination increases from threefold at room pressure to more than fivefold above 20 GPa. This increase in coordination can be understood as the formation of metavalent bonding at high pressure, which results in a progressive decrease of the electronic and optical bandgap, an increase of the dielectric tensor and Born effective charges, and a considerable softening of many high-frequency optical modes with pressure. The formation of metavalent bonding may also explain the behavior of other group-15 sesquichalcogenides under compression. Moreover, our results suggest that group-15 sesquichalcogenides either show metavalent bonding at room pressure or undergo a transition from p-type covalent bonding at room pressure towards metavalent bonding at high pressure, as a preceding phase towards metallic bonding at very high pressure.

cond-mat.mtrl-sci↗

arXiv2018

Tomography from collective measurements

We discuss the tomography of $N$-qubit states using collective measurements. The method is exact for symmetric states, whereas for not completely symmetric states the information accessible can be arranged as a mixture of irreducible SU(2) blocks. For the fully symmetric sector, the reconstruction protocol can be reduced to projections onto a canonically chosen set of pure states.

quant-ph↗

arXiv2017

High-pressure structural, elastic, and thermodynamic properties of zircon-type HoPO4 and TmPO4

Zircon-type HoPO4 and TmPO4 have been studied by single-crystal x-ray diffraction and ab initio calculations. We report information on the influence of pressure on the crystal structure, and on the elastic and thermodynamic properties. The equation of state for both compounds is accurately determined. We have also obtained information on the polyhedral compressibility which is used to explain the anisotropic axial compressibility and the bulk compressibility. Both compounds are ductile and more resistive to volume compression than to shear deformation at all pressures. Furthermore, the elastic anisotropy is enhanced upon compression. Finally, the calculations indicate that the possible causes that make unstable the zircon structure are mechanical instabilities and the softening of a silent B1u mode.

cond-mat.mtrl-sci↗

arXiv2017

Optical and structural study of the pressure-induced phase transition of CdWO$_4$

The optical absorption of CdWO$_4$ is reported at high pressures up to 23 GPa. The onset of a phase transition was detected at 19.5 GPa, in good agreement with a previous Raman spectroscopy study. The crystal structure of the high-pressure phase of CdWO$_4$ was solved at 22 GPa employing single-crystal synchrotron x-ray diffraction. The symmetry changes from space group $P$2/$c$ in the low-pressure wolframite phase to $P2_1/c$ in the high-pressure post-wolframite phase accompanied by a doubling of the unit-cell volume. The octahedral oxygen coordination of the tungsten and cadmium ions is increased to [7]-fold and [6+1]-fold, respectively, at the phase transition. The compressibility of the low-pressure phase of CdWO$_4$ has been reevaluated with powder x-ray diffraction up to 15 GPa finding a bulk modulus of $B_0$ = 123 GPa. The direct band gap of the low-pressure phase increases with compression up to 16.9 GPa at 12 meV/GPa. At this point an indirect band gap crosses the direct band gap and decreases at -2 meV/GPa up to 19.5 GPa where the phase transition starts. At the phase transition the band gap collapses by 0.7 eV and another direct band gap decreases at -50 meV/GPa up to the maximum measured pressure. The structural stability of the post-wolframite structure is confirmed by \textit{ab initio} calculations finding the post-wolframite-type phase to be more stable than the wolframite at 18 GPa. Lattice dynamic calculations based on space group $P2_1/c$ explain well the Raman-active modes previously measured in the high-pressure post-wolframite phase. The pressure-induced band gap crossing in the wolframite phase as well as the pressure dependence of the direct band gap in the high-pressure phase are further discussed with respect to the calculations.

cond-mat.mtrl-sci↗

arXiv2015

High-pressure structural and elastic properties of Tl2O3

The structural properties of Thallium (III) oxide (Tl2O3) have been studied both experimentally and theoretically under compression at room temperature. X-ray powder diffraction measurements up to 37.7 GPa have been complemented with ab initio total-energy calculations. The equation of state of Tl2O3 has been determined and compared to related compounds. It has been found experimentally that Tl2O3 remains in its initial cubic bixbyite-type structure up to 22.0 GPa. At this pressure, the onset of amorphization is observed, being the sample fully amorphous at 25.2 GPa. The sample retains the amorphous state after pressure release. To understand the pressure-induced amorphization process, we have studied theoretically the possible high-pressure phases of Tl2O3. Although a phase transition is predicted at 5.8 GPa to the orthorhombic Rh2O3-II-type structure and at 24.2 GPa to the orthorhombic a-Gd2S3-type structure, neither of these phases were observed experimentally, probably due to the hindrance of the pressure-driven phase transitions at room temperature. The theoretical study of the elastic behavior of the cubic bixbyite-type structure at high-pressure shows that amorphization above 22 GPa at room temperature might be caused by the mechanical instability of the cubic bixbyite-type structure which is theoretically predicted above 23.5 GPa.

cond-mat.mtrl-sci↗

arXiv2014

Structural study of alfa-Bi2O3 under pressure

An experimental and theoretical study of the structural properties of monoclinic bismuth oxide (alfa-Bi2O3) under high pressures is here reported. Both synthetic and mineral bismite powder samples have been compressed up to 45 GPa and their equations of state have been determined with angle-dispersive x-ray diffraction measurements. Experimental results have been also compared to theoretical calculations which suggest the possibility of several phase transitions below 10 GPa. However, experiments reveal only a pressure-induced amorphisation between 15 and 25 GPa, depending on sample quality and deviatoric stresses. The amorphous phase has been followed up to 45 GPa and its nature discussed.

cond-mat.mtrl-sci↗

arXiv2014

Characterization of the Spin-1/2 Linear-Chain Ferromagnet CuAs$_2$O$_4$

The magnetic and lattice properties of the $S$=1/2 quantum-spin-chain ferromagnet, CuAs$_2$O$_4$, mineral name trippkeite, were investigated. The crystal structure of CuAs$_2$O$_4$ is characterized by the presence of corrugated CuO$_2$ ribbon chains. Measurements of the magnetic susceptibility, heat capacity, electron paramagnetic resonance and Raman spectroscopy were performed. Our experiments conclusively show that a ferromagnetic transition occurs at $\sim$7.4 K. $\textit{Ab initio}$ DFT calculations reveal dominant ferromagnetic nearest-neighbor and weaker antiferromagnetic next- nearest-neighbor spin exchange interactions along the ribbon chains. The ratio of $J_{\rm nn}$/$J_{\rm nnn}$ is near -4, placing CuAs$_2$O$_4$ in close proximity to a quantum critical point in the $J_{\rm nn}$ - $J_{\rm nnn}$ phase diagram. TMRG simulations used to analyze the magnetic susceptibility confirm this ratio. Single-crystal magnetization measurements indicate that a magnetic anisotropy forces the Cu$^{2+}$ spins to lie in an easy plane perpendicular to the $c$-axis. An analysis of the field and temperature dependent magnetization by modified Arrott plots reveals a 3d-XY critical behavior. Lattice perturbations induced by quasi-hydrostatic pressure and temperature were mapped via magnetization and Raman spectroscopy.

cond-mat.mtrl-sci↗