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A minor change in the Barcelos-Wotzasek (BW) symplectic algorithm for constrained systems is proposed. The change addresses some criticism that formalism has received, placing it on the same footing as Dirac's algorithm., Comment: A final version article is available at Brazilian Journal of Physics

The structural and electronic properties of the CaMnGe$_2$O$_6$ and SrMnGe$_2$O$_6$ clinopyroxene systems have been investigated by means of perturbed angular correlation (PAC) measurements, performed at ISOLDE, combined with $ab-initio$ electronic structure calculations within the density functional theory (DFT) framework. The partial density of states (PDOS) of the CaMnGe$_2$O$_6$ and SrMnGe$_2$O$_6$ stable compounds has been determined, and it has been observed that the requirement of including an on-site Hubbard-$U$ potential was necessary in order to describe the highly correlated Mn $3d$-states. By considering $U_{eff}$=4 eV, we obtained a band gap width of 1.82 eV and 1.70 eV, for the CaMnGe$_2$O$_6$ and SrMnGe$_2$O$_6$, respectively. Combining electric field gradient (EFG) first principles calculations, using a supercell scheme, with experimental PAC results, we were able to infer that the Cd probe can replace either the $A$ (Ca, Sr) or the Mn sites in the crystalline structures. We also showed that Cd substitution is expected to lead to a reduction in the width of the band gap in these systems, evidencing opportunities for potential band-gap engineering.

The CUbesat Solar Polarimeter (CUSP) project is a CubeSat mission orbiting the Earth aimed to measure the linear polarization of solar flares in the hard X-ray band by means of a Compton scattering polarimeter. CUSP will allow the study of the magnetic reconnection and particle acceleration in the flaring magnetic structures of our star. CUSP is a project in the framework of the Alcor Program of the Italian Space Agency aimed at developing new CubeSat missions. It is approved for a Phase B study. In this work, we report on the characterization of the Avalanche Photodiodes (APDs) that will be used as readout sensors of the absorption stage of the Compton polarimeter. We assessed the APDs gain and energy resolution as a function of temperature by irradiating the sensor with a \textsuperscript{55}Fe radioactive source. Moreover, the APDs were also characterized as being coupled to a GAGG scintillator., Comment: Proceeding of SPIE Conference "Astronomical Telescopes+ Instrumentation", Yokohama (Japan), 16-21 June 2024

In this work, we explore the intriguing spin-momentum locking phenomenon within the Rashba states of antimony (Sb) films. By combining spin pumping with the flow of an external charge current, we reveal the topological properties of surface states in Sb films. Taking advantage of the well-defined spin polarization of both spin-momentum-locked charge currents and spin-pumped currents, we demonstrate precise manipulation over the direction and magnitude of the resulting charging current, generated through the inverse Rashba-Edelstein effect. This fascinating phenomenon is attributed to the dynamic interaction between the accumulation of out-of-equilibrium pumped spins and the flowing spins, intrinsically locked perpendicular to the direction of the charge current. The results show that Sb as a promising material for basic and applied investigation of spintronics phenomena. We believe that the nanostructures investigated here open the way for the development of low-power logic gates operating in the range of a few tens of microamperes., Comment: 25 pages, 11 figures

In this work, we study the probability distribution for the force and potential energy of a test particle interacting with $N$ point random sources in the limit $N\rightarrow\infty$. The interaction is given by a central potential $V(R)=k/R^{\delta-1}$ in a $ d$-dimensional euclidean space, where $R$ is the random relative distance between the source and the test particle, $\delta$ is the force exponent, and $k$ is the coupling parameter. In order to assure a well-defined limit for the probability distribution of the force and potential energy, we { must} renormalize the coupling parameter and/or the system size as a function of the number $N$ of sources. We show the existence of three non-singular limits, depending on the exponent $\delta$ and the spatial dimension $d$. (i) For $\deltad+1$ the potential energy converges to a random variable and the force to a random vector. This limit is called Thermodynamic Limit. (iii) For $d<\delta

We present an \textit{ab-initio} study of the quasi-2D layered perovskite Sr$_3$Hf$_2$O$_7$ com\-pound, performed within the framework of the Density Functional Theory and lattice dynamics analysis. At high temperatures, this compound takes a \textit{I4/mmm} centrosym\-met\-ric structure (S.G. n. 139); as the temperature is lowered, the symmetry is broken into other intermediate polymorphs before reaching the ground state structure, which is the \textit{Cmc2$_1$} ferroelectric phase (S.G. n. 36). One of these intermediate polymorphs is the \textit{Ccce} structural phase (S.G. n. 68). Additionally, we have probed the \textit{C2/c} system (S.G n. 15), which was obtained by following the atomic displacements corresponding to the eigenvectors of the imaginary frequency mode localized at the $\mathbf{\Gamma}$-point of the \textit{Ccce} phase. By observing the enthalpies at low pressures, we found that the \textit{Cmc2$_1$} phase is thermodynamically the most stable. Our results show that the \textit{I4/mmm} and \textit{C2/c} phases never stabilize in the 0-20 GPa range of pressure values. On the other hand, the \textit{Ccce} phase becomes energetically more stable at around 17 GPa, surpassing the \textit{Cmc2$_1$} structure. By considering the effect of entropy and the constant-volume free energies, we observe that the \textit{Cmc2$_1$} polymorph is energetically the most stable phase at low temperature; however, at 350 K the \textit{Ccce} system becomes the most stable. By probing the volume-dependent free energies at 19 GPa, we see that \textit{Ccce} is always the most stable phase between the two structures and also throughout the studied temperature range. When analyzing the phonon dispersion frequencies, we conclude that the \textit{Ccce} system becomes dynamically stable only around 19-20 GPa, and that the \textit{Cmc2$_1$} phase, is metastable up to 30 GPa., Comment: 32 pages, 11 figures

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.

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., Comment: 17 pages, 9 figures