arXiv subjects

J. G. Correia

Publications and source records attributed to J. G. Correia.

12 recordsLinked to original sources

arXiv2026

Lattice location of ion-implanted 6He in diamond

The properties of He in diamond are of interest with respect to geological dating and the creation of color centers with possible quantum applications. We report on the lattice location of the short-lived ion implanted nuclear probe 6He (t1/2=807 ms) in diamond, which was performed using the beta emission channeling method at CERN's ISOLDE facility. 6He was implanted with 30 keV into a single-crystalline artificial diamond sample kept at a temperature ranging from 30 deg C up to 800 deg C. By means of comparing the measured emission channeling patterns along different crystallographic directions with simulated yields for a variety of possible sites, we conclude that the implanted 6He occupies tetrahedral (T) interstitial sites, in agreement with theoretical predictions that T sites should be the preferred position of He in diamond. Implantation at 800 deg C resulted in a drop in the tetrahedral interstitial fraction by 20%, which we interpret as the onset of diffusion, 6He thus being able to change to lattice sites of low crystallographic symmetry, or reach the surface of the sample or escape to the bulk during its lifetime. We estimate the activation energy for interstitial migration of He to be around 1.63-2.89 eV, which agrees with theoretical predictions of 1.41-2.36 eV from the literature. Activation energies around 2 eV would mean that simple interstitial He cannot be stable in diamond on geological time scales, thus to remain inside, it should be bound to some defect in the material or exist in another form such as within inclusions of other minerals or liquids, or possibly small He bubbles.

cond-mat.mtrl-sci↗

arXiv2026

Exploring $α$- and $β$-decay-induced quenching of the $^{229}$Th nuclear-clock isomer in solid-state hosts

The radiative decay dynamics of an ensemble of $^{229\mathrm{m}}$Th nuclei embedded in CaF$_2$ and MgF$_2$ is investigated. The isomer is populated through $β$ decay of $^{229}$Ac following ion implantation, and its radiative decay is detected using vacuum-ultraviolet spectroscopy and measured as a function of time. This allows to identify and quantify the quenching of the radiative-decay signal induced by $α$ or $β$ radiation. The quenching probability density is determined in different CaF$_2$ crystals and in a MgF$_2$ crystal, revealing differences up to two orders of magnitude between the investigated samples and a strong dependence on the host material and defect densities. The results support a microscopic mechanism mediated by charge carriers in which electronic excitations created by the decay radiation are captured near Th defects, thereby favoring non-radiative decay channels.

nucl-ex↗

arXiv2024

Radiative Decay of the $^{229m}$Th Nuclear Clock Isomer in Different Host Materials

A comparative vacuum ultraviolet spectroscopy study conducted at ISOLDE-CERN of the radiative decay of the $^{229m}$Th nuclear clock isomer embedded in different host materials is reported. The ratio of the number of radiative decay photons and the number of $^{229m}$Th embedded are determined for single crystalline CaF$_2$, MgF$_2$, LiSrAlF$_6$, AlN, and amorphous SiO$_2$. For the latter two materials, no radiative decay signal was observed and an upper limit of the ratio is reported. The radiative decay wavelength was determined in LiSrAlF$_6$ and CaF$_2$, reducing its uncertainty by a factor of 2.5 relative to our previous measurement. This value is in agreement with the recently reported improved values from laser excitation.

nucl-ex↗

arXiv2024

Probing $Ca_3Ti_2O_7$ crystal structure at the atomic level: Insights from $^{111m}Cd/^{111}Cd$ PAC spectroscopy and ab-initio studies

Perturbed angular correlation spectroscopy combined with $ab-initio$ electronic structure calculations is used to unravel the structural phase transition path from the low-temperature polar structure to the high-temperature structural phase in $Ca_3Ti_2O_7$, a hybrid improper ferroelectric. This procedure explores the unique features of a local probe environment approach by monitoring the evolution of the electric field gradient tensor at the calcium sites. The local environments, observed above 1057 K, confirm a structural phase transition from the $A2_1am$ symmetry to an orthorhombic $Acaa$ symmetry in the $Ca_3Ti_2O_7$ crystal lattice, disagreeing with the frequently reported avalanche structural transition from the polar $A2_1am$ phase to the aristotype $I4/mmm$ phase. Moreover, the EFG temperature dependency, within the $A2_1am$ temperature stability, is shown to be sensitive to the recently proposed $Ca_3Ti_2O_7$ ferroelectric polarization decrease within the 500-800~K temperature range.

cond-mat.mtrl-sci↗

arXiv2019

Cd acceptors in $Ga_2O_3$, an atomistic view

Finding suitable p-type dopants, as well as reliable doping and characterization methods for the emerging wide bandgap semiconductor $β$-$Ga_2O_3$ could strongly influence and contribute to the development of the next generation of power electronic. In this work, we combine easily accessible ion implantation, diffusion and nuclear transmutation methods to properly incorporate the Cd dopant into the $β$-$Ga_2O_3$ lattice, being subsequently characterized at the atomic scale with the Perturbed Angular Correlation (PAC) technique and Density Functional Theory (DFT) simulations. The acceptor character of Cd in $β$-$Ga_2O_3$ is demonstrated, with Cd sitting in the octahedral Ga site in the negative charge state, showing no evidence of polaron deformations nor extra point defects nearby. Furthermore, thermally activated free electrons were observed for temperatures above ~648 K with an activation energy of 0.54(1) eV. At lower temperatures the local electron transport is dominated by a tunneling process between defect levels and the Cd probe.

cond-mat.mtrl-sci↗

arXiv2019

An alternative approach to populate and study the $^{229}$Th nuclear clock isomer

A new approach to observe the radiative decay of the $^{229}$Th nuclear isomer, and to determine its energy and radiative lifetime, is presented. Situated at a uniquely low excitation energy, this nuclear state might be a key ingredient for the development of a nuclear clock, a nuclear laser and the search for time variations of the fundamental constants. The isomer's $γ$ decay towards the ground state will be studied with a high-resolution VUV spectrometer after its production by the $β$ decay of $^{229}$Ac. The novel production method presents a number of advantages asserting its competitive nature with respect to the commonly used $^{233}$U $α$-decay recoil source. In this paper, a feasibility analysis of this new concept, and an experimental investigation of its key ingredients, using a pure $^{229}$Ac ion beam produced at the ISOLDE radioactive beam facility, is reported.

nucl-ex↗

arXiv2016

Hyperfine local probe study of alkaline-earth manganites SrMnO3 and BaMnO3

We report perturbed angular correlation measurements with 111mCd/111Cd and 111In/111Cd probes, at the ISOLDE-CERN facility, in the manganite compounds BaMnO3 , with the 6H and 15R polymorphs, and SrMnO3 , with the 4H polymorph. The electric field gradient (EFG) is measured, and found approximately constant in a large temperature range for all the compounds. The EFG is also calculated from first principles with density functional theory, and compared with experimental results by considering diluted substitutional Cd impurities. Based on the results, we assign as sites for the probes the Ba (for BaMnO3-6H, 15R) and Sr (for SrMnO3-4H) sites, apart from fractions of undetermined origin in the case of BaMnO3-6H. We predict the hyperfine parameters in the recently synthesized multiferroic manganite Sr0.5Ba0.5MnO3 , and its variation with the structure and electric polarization, which is found to be very small.

cond-mat.mtrl-sci↗

arXiv2014

Hyperfine Interactions in MnAs studied by Perturbed Angular Correlations of $γ$-Rays using the probe $^{77}$Br$\rightarrow^{77}$Se and first principles calculations for MnAs and other Mn pnictides

The MnAs compound shows a first-order transition at T$_C\approx42$ C, and a second-order transition at T$_t\approx120$ C. The first-order transition, with structural (hexagonal-orthorhombic), magnetic (FM-PM) and electrical conductivity changes, is associated to magnetocaloric, magnetoelastic, and magnetoresistance effects. We report a study in a large temperature range from $-196$ up to $140$ C, using the $γ-γ$ perturbed angular correlations method with the radioactive probe $^{77}$Br$\rightarrow^{77}$Se, produced at the ISOLDE-CERN facility. The electric field gradients and magnetic hyperfine fields are determined across the first- and second-order phase transitions encompassing the pure and mixed phase regimes in cooling and heating cycles. The temperature irreversibility of the 1st order phase transition is seen locally, at the nanoscopic scale sensitivity of the hyperfine field, by its hysteresis, detailing and complementing information obtained with macroscopic measurements (magnetization and X-ray powder diffraction). To interpret the results, hyperfine parameters were obtained with first-principles spin-polarized density functional calculations using the generalized gradient approximation with the full potential (L)APW+lo method (\textsc{Wien2k} code) by considering the Se probe at both Mn and As sites. A clear assignment of the probe location at the As site is made and complemented with the calculated densities of states and local magnetic moments. We model electronic and magnetic properties of the chemically similar MnSb and MnBi compounds, complementing previous calculations.

cond-mat.mtrl-sci↗

arXiv2013

PAC study of the static and dynamic aspects of metal atom inside C60 cage

30 keV 111mCd and 50 keV 199mHg beams from ISOLDE were used to implant on preformed target of C60 with the thickness of 1 mg/cm2. Endofullerene compounds, viz.,111mCd@C60 and 199mHg@C60 formed during implantation were separated by filtration through micropore filter paper followed by solvent extraction. Dried samples of the endofullerene compounds were counted for the coincidence for the 151-245 keV cascade of 111mCd and 374-158 keV cascade for 199mHg for the TDPAC measurement on a six LaBr3 detector system coupled with digital electronics. The results indicate a single site occupied by the Cd atom in the fullerene cage with fast relaxation component which means that the Cd atom does move inside the cage at room temperature. The quadrupole interaction frequency and asymmetry parameter of the Cd atom occupying the site in C60 are WQ=8.14(42) Mrad/s and eta= 0.42(9) respectively with a site population of 28%. Fast relaxation constant is 0.003 ns-1 with a site contribution of 72%. On the other hand, Hg atom has two static sites of quadrupole frequencies, WQ1=281.60(16.9) Mrad/s and WQ2=202.30(22.7) Mrad/s. Respective asymmetry parameters are eta1=0.1(1) and eta2=0.2(1). The static components have a contribution of 40% with the rest 60% coming from the fast relaxing component.

cond-mat.mtrl-sci↗

arXiv2012

Ab-initio study of the relation between electric polarization and electric field gradients in ferroelectrics

The hyperfine interaction between the quadrupole moment of atomic nuclei and the electric field gradient (EFG) provides information on the electronic charge distribution close to a given atomic site. In ferroelectric materials, the loss of inversion symmetry of the electronic charge distribution is necessary for the appearance of the electric polarization. We present first-principles density functional theory calculations of ferroelectrics such as BaTiO3, KNbO3, PbTiO3 and other oxides with perovskite structures, by focusing on both EFG tensors and polarization. We analyze the EFG tensor properties such as orientation and correlation between components and their link with electric polarization. This work supports previous studies of ferroelectric materials where a relation between EFG tensors and polarization was observed, which may be exploited to study ferroelectric order when standard techniques to measure polarization are not easily applied.

cond-mat.mtrl-sci↗

arXiv2008

New phase transition in $Pr_{1-x}Ca_xMnO_3$ system: evidence for electrical polarization in charge ordered manganites

A detailed study of the electric field gradient (EFG) across the Pr1-xCaxMnO3 phase diagram and its temperature dependence is given. Clearly, distinct EFG behaviours for samples outside/inside the charge order (CO) region are observed. The EFG temperature dependence evidences a new phase transition occurring over the broad CO region of the phase diagram. This transition is discontinuous and occurs at temperatures between the charge ordering and the Neel temperatures. The features observed in the EFG are associated with polar atomic vibrations which eventually lead to a spontaneous local electric polarization below CO transition.

cond-mat.str-el↗

arXiv2005

Percolative phase transition on ferromagnetic insulator manganites: uncorrelated to correlated polaron clusters

In this work, we report an atomic scale study on the ferromagnetic insulator manganite LaMnO$_{3.12}$ using $γ-γ$ PAC spectroscopy. Data analysis reveals a nanoscopic transition from an undistorted to a Jahn-Teller-distorted local environment upon cooling. The percolation thresholds of the two local environments enclose a macroscopic structural transition (Rhombohedric-Orthorhombic). Two distinct regimes of JT-distortions were found: a high temperature regime where uncorrelated polaron clusters with severe distortions of the Mn$^{3+}$O$_{6}$ octahedra survive up to $T \approx 800 K$ and a low temperature regime where correlated regions have a weaker JT-distorted symmetry.

cond-mat.str-el↗