arXiv subjects

A. J. S. Machado

Publications and source records attributed to A. J. S. Machado.

At least 19 recordsLinked to original sources

arXiv2026

Multiband Superconductivity and Charge Density Wave in HfxZr1-xTe3 single crystals

We report on the bulk multiband superconductivity and charge density wave (CDW) in HfxZr1-xTe3 single crystals. The parent compound ZrTe3 is a layered van der Waals material that undergoes a CDW transition near 63 K and exhibits only filamentary superconductivity below 2.0 K. Upon the introduction of a small amount of Hf (x = 0.02), the CDW transition temperature is reduced to TCDW ~ 53 K, while a robust bulk superconducting state emerges at Tc ~ 3.3 K, underscoring a subtle competition between CDW order and superconductivity in this quasi-one-dimensional system. Electrical resistivity, magnetic susceptibility, Hall effect, Seebeck coefficient, and specific heat measurements consistently confirm the bulk nature of the superconducting phase. The temperature dependence of the upper critical field Hc2(T) deviates markedly from single-band behavior, and it is well described by a two-band model, consistent with multiband superconductivity. Analysis of the Hall effect, and thermoelectric behavior reveal pronounced electronic anisotropy, with enhanced effective carrier masses, indicating that the subtle structural modification introduced by Hf substitutions affects the Fermi surface topology, as well as electronic correlations. Measurements of electrical resistivity in hydrostatic pressures up to ~ 2 GPa reveal that pressure drives TCDW to higher temperatures while suppressing Tc. These findings show that Hf doping can be used to fine-tune the balance between the CDW instability and superconductivity, possibly by means of chemical pressure effects, stabilizing a multiband superconducting state in Hf-doped ZrTe3.

cond-mat.supr-con↗

arXiv2026

Superconductivity and electronic structure evolution in the enforced semimetal Fe-doped ZrTe$_2$

ZrTe$_2$ is an outstanding layered semimetal due to the topologically nontrivial electronic structure. In this work, we present an investigation of the electronic evolution of ZrTe$_2$ in the presence of Fe intercalation, namely Fe$_{x}$ZrTe$_2$ ($x= 0 - 0.25$), scrutinized by both experimental measurements and \textit{ab} initio calculations. While the first reveals a superconducting state with a maximum critical temperature $T_c = 2.74$ K ($x=$ 0.03), the latter indicates that the topological features of the pristine ZrTe$_2$ is sensitive to the distance between Te atoms and Zr layers. Also, the intercalation of Fe does not modify the non-trivial electronic band structure unlike the band crossings are now shifted slightly below $E_{F}$. In particular, a van Hove singularity near the Fermi level for a Fe content of $x=0.125$ is observed in the density of states, indicating that the superconducting order may be associated with features of the unfolded band structure and the concomitant enhancement of the density of states at $E_F$. Finally, our results reveal that the new compound with inclusion of Fe intercalation preserves the enforced semimetal classification.

cond-mat.supr-con↗

arXiv2026

Substitution modulated transition from semimetal to superconductor in ZrTe$_{2-x}$Se$_x$ with coexistence of nontrivial electronic topology

This study explores the emergence of superconductivity in high-quality ZrTe$_{2-x}$Se$_x$ crystals, grown via the isothermal chemical vapor transport (ICVT) technique. Resistive, structural, and thermal measurements reveal that substituting Te with Se in the ZrTe$_2$ matrix induces a superconducting state at low temperatures. The critical temperature ($T_c$) exhibits a clear dependence on the selenium concentration, peaking at $x=0.15$ with a $T_c$ of $4.8$ K. Calorimetric data indicates that even a low Se substitution range is capable of modifying both the electronic contribution and the vibrational modes of the crystal lattice. Combined with ab initio calculations and Wannier Hamiltonian interpolation between ZrTe$_2$/ZrSe$_2$, we established an extensive phase diagram mapping the transition from charge density wave (CDW) to the state with coexistence between the Dirac semimetal and superconductivity (SC), up to the semiconductor phase. This coexistence suggests that ZrTe$_{1.85}$Se$_{0.15}$ could be a candidate platform for topological superconductivity, as it hosts a nontrivial $\mathbb Z_2$ invariant, with nonvanishing surface states in its $(001)$ planes.

cond-mat.supr-con↗

arXiv2023

Superconductivity in Te-deficient ZrTe$_2$

We present structural, electrical, and thermoelectric potential measurements on high-quality single crystals of ZrTe$_{1.8}$ grown from isothermal chemical vapor transport. These measurements show that the Te-deficient ZrTe$_{1.8}$, which forms the same structure as the non-superconducting ZrTe$_2$, is superconducting below 3.2\,K. The temperature dependence of the upper critical field (H$_{c2}$) deviates from the behavior expected in conventional single-band superconductors, being best described by an electron-phonon two-gap superconducting model with strong intraband coupling. For the ZrTe$_{1.8}$ single crystals, the Seebeck potential measurements suggest that the charge carriers are predominantly negative, in agreement with the ab initio calculations. Through first-principles calculations within DFT, we show that the slight reduction of Te occupancy in ZrTe$_2$ unexpectedly gives origin to density of states peaks at the Fermi level due to the formation of localized Zr-$d$ bands, possibly promoting electronic instabilities at the Fermi level and an increase at the critical temperature according to the standard BCS theory. These findings highlight that the Te deficiency promotes the electronic conditions for the stability of the superconducting ground state, suggesting that defects can fine-tune the electronic structure to support superconductivity.

cond-mat.supr-con↗

arXiv2019

Structure and dielectric properties of Ba$_2$Cu$_x$Y$_{1-x}$TaO$_{6-y}$ double perovskite

In this paper, we reported the effect of Cu doping on the structural and dielectric properties of Ba$_2$Y$_{1-x}$Cu$_x$TaO$_{6-y}$ (0.00 $\leq$ x $\leq$ 0.50) ceramics at room temperature. The Copper for Yttrium substitution reduces the sintering temperature and leads to structural changes in the Ba$_2$YTaO$_6$ rock-salt crystalline structure. Dielectric permittivity and complex impedance spectroscopy measurements suggested enhancement of the dielectric constant and occurrence of interfacial Maxwell-Wagner polarization.

cond-mat.mtrl-sci↗

arXiv2019

Two-band superconductivity with unconventional pairing symmetry in HfV$_2$Ga$_4$

In this letter, we have examined the superconducting ground state of the HfV$_2$Ga$_4$ compound using resistivity, magnetization, zero-field (ZF) and transverse-field (TF) muon-spin relaxation and rotation ($μ$SR) measurements. Resistivity and magnetization unveil the onset of bulk superconductivity with $T_{\bf c}\sim$ 3.9~K, while TF-$μ$SR measurements show that the temperature dependence of the superfluid density is well described by a nodal two-gap $s$+$d$-wave order parameter model. In addition, ZF muon relaxation rate increases with decreasing temperature below 4.6 K, indicating the presence of weak spin fluctuations. These observations suggest an unconventional multiband nature of the superconductivity possibly arising from the distinct $d$-bands of V and Hf ions with spin fluctuations playing an important role. To better understand these findings, we carry out first-principles electronic-structure calculations, further highlighting that the Fermi surface consists of multiple disconnected sheets with very different orbital weights and spin-orbit coupling, bridging the way for a nodal multiband superconductivity scenario. In this vein, therefore, HfV$_2$Ga$_4$-family stands out as an open avenue to novel unexplored unconventional superconducting compounds, such as ScV$_2$Ga$_4$ and ZrV$_2$Ga$_4$, and other many rare earths based materials.

cond-mat.supr-con↗

arXiv2019

Strong Electronic Interaction and Signatures of Nodal Superconductivity in Zr$_5$Pt$_3$C$_x$

The physical properties of the Zr$_5$Pt$_3$ compound with interstitial carbon in hexagonal D8$_8$-structure was investigated. A set of macroscopic measurements reveal a bulk superconducting at approximately 7 K for Zr$_5$Pt$_3$C$_{0.3}$ close to Zr$_5$Pt$_3$, also with a correlate anomalous resistivity behavior. However, both the signatures of strong electron-electron interaction, and the electronic contribution to specific heat, increase dramatically with the C doping. For the first time the x-ray photoelectron spectra compared with DFT/PWLO calculations of electronic structure show a complex Fermi surface with high density of states for Zr$_5$Pt$_3$. Also results show the signature of unconventional superconductivity. Indeed, was observed an unusual behavior for lower and upper critical field diagrams of Zr$_5$Pt$_3$C$_{0.3}$. The temperature dependence of penetration length and electronic contribution to specific heat suggests that electronic pairing deviates of $s$-wave the BCS scenario.

cond-mat.supr-con↗

arXiv2018

Elastic anisotropy and thermal properties of extended linear chain compounds MV$_2$Ga$_4$ (M = Sc, Zr, Hf) from ab-initio calculations

MV$_2$Ga$_4$ (M = Sc, Zr, Hf) compounds belong to an emerging class of materials showing a unique combination of unusual superconducting behavior with extended linear chains in the crystal structure. In order to gain insights {into} its mechanical and thermal properties, we have performed first-principles electronic-structure calculations in the framework of the Density Functional Theory (DFT). From the calculated second-order elastic constants, we have systematically shown that the extended linear vanadium chain substructures indeed give rise to an anisotropic regime in the elastic and mechanical moduli. The high density of valence and conduction electrons along the linear vanadium chains leads to a directional dependence of the reciprocal linear compressibility, Young's modulus and shear modulus. Poisson's ratio for several elongation directions is also drastically affected by the presence of extended V chains. If the elongation is along the V chains, all compounds exhibit {practically} the same Poisson ratio in directions perpendicular to it, further highlighting the importance of the V chains to the mechanical properties. Moreover, based on our results, we have discussed the possible consequences of the elastic anisotropy on the superconducting properties of the compounds. Finally, using the Debye-Grüneisen approximation, our calculations of thermal properties show {a good agreement with the available experimental low temperature heat capacity data above the superconducting critical temperature.

cond-mat.mtrl-sci↗

arXiv2018

Evidence of unconventional superconductivity in the Ni-doped NbB2 system

In this paper, a comprehensive study of the effects of Ni-doping on structural, electrical, thermal and magnetic properties of the NbB2 is presented. Low amounts (\leq 10 %) of Ni substitution on Nb sites cause structural distortions and induce drastic changes in the physical properties, such as the emergence of a bulk superconducting state with anomalous behaviors in the critical fields (lower and upper) and in the specific heat. Ni-doping at the 9 at.% level, for instance, is able to increase the critical temperature (TC) in stoichiometric NbB2 (< 1.3 K) to approximately 6.0 K. Bulk superconductivity is confirmed by magnetization, electronic transport, and specific heat measurements. Both Hc1 and Hc2 critical fields exhibit a linear dependence with reduced temperature (T/TC), and the specific heat deviates remarkably from the conventional exponential temperature dependence of the single-band BCS theory. These findings suggest multiband superconductivity in the composition range from 0.01 \leq x \leq 0.10.

cond-mat.supr-con↗

arXiv2018

Evidence of Nodal Line in the Superconducting Gap Symmetry of Noncentrosymmetric ThCoC$_{2}$

The newly discovered noncentrosymmetric superconductor ThCoC$_{2}$ exhibits numerous unconventional behavior in the field dependent heat capacity data. Here we present the first measurement of the gap symmetry of ThCoC$_{2}$ by muon spin rotation/relaxation $(μ$SR) measurements. Temperature dependence of the magnetic penetration depth measured using the transverse field $μ$SR measurement reveal the evidence of nodal pairing symmetry. To understand these findings, we carry out the calculations of superconducting pairing eigenvalue and eigenfunction symmetry due to the spin-fluctuation mechanism, by directly implemented the {\it ab-initio} band structures. We find that the system possesses a single Fermi surface with considerable three-dimensionality, and hence a strong nesting along the $k_z$-direction. Such a nesting promotes a superconducting pairing with a $\cos{k_z}$-like symmetry with a prominent nodal line on the $k_z=\pmπ/2$ plane. The result agrees well with the experimental data.

cond-mat.supr-con↗

arXiv2018

Properties and superconductivity in Ti-doped NiTe2 single crystals

Transition metal dichalcogenides (TMDs) usually show simple structures, however, with interesting properties. Recently some TMDs have been pointed out as type-II Dirac semimetals. In the present work, we investigate the physical properties of a new candidate for type-II Dirac semimetal and investigate the effect of titanium doping on physical properties of Ti-doped single crystalline samples of NiTe2. It was found that this compound shows a superconducting properties with a critical temperature close to 4.0 K. Interestingly, applied pressures up to 1.3 GPa have no effect upon the superconducting state. Density Functional Theory (DFT) calculations demonstrate the presence of a Dirac cone in the band structure of NiTe2 literature when Spin-Orbit Coupling (SOC) is included, which is in agreement with a recent report for this compound. Also, our calculations demonstrate that Ti suppresses the formation of these non-trivial states.

cond-mat.supr-con↗

arXiv2018

Insights on unconventional superconductivity in HfV$_2$Ga$_4$ and ScV$_2$Ga$_4$ from first principles electronic structure calculations

The HfV$_2$Ga$_4$ compound was recently reported to exhibit unusual bulk superconducting properties, with the possibility of multiband behavior. To gain insight into its properties, we performed ab-initio electronic structure calculations based on the Density Functional Theory (DFT). Our results show that the density of states at the Fermi energy is mainly composed by V--$d$ states. The McMillan formula predicts a superconducting critical temperature ($T_{c}$) of approximately $3.9\,$K, in excellent agreement with the experimental value at $4.1\,$K, indicating that superconductivity in this new compound may be explained by the electron-phonon mechanism. Calculated valence charge density maps clearly show directional bonding between Hf and V atoms with 1D highly populated V-chains, and some ionic character between Hf--Ga and V--Ga bonds. Finally, we have shown that there are electrons occupying two distinct bands at the Fermi level, with different characters, which supports experimental indications of possible multiband superconductivity. Based on the results, we propose the study of a related compound, ScV$_2$Ga$_4$, showing that it has similar electronic properties, but probably with a higher $T_c$ than HfV$_2$Ga$_4$.

cond-mat.supr-con↗

arXiv2017

Absence of superconductivity in NbB

A systematic study of the superconducting properties in a series of arc-melted Nb-B samples close to the 1:1 composition was carried out. Powder X-ray diffraction (XRD) shows that all samples are both non-stoichiometric, and comprising of two crystal phases: a majority orthorhombic NbB-type phase, and traces of a minor body-centered cubic Nb-rich phase Nb$_{ss}$ with stoichiometry close to Nb$_{0.98}$B$_{0.02}$. The emergence of superconductivity near T$_c \sim$ 9.0 K was inferred from magnetization data in chunk and powder samples. However, the very small superconducting volume fractions are inconsistent with superconductivity arising from the major NbB phase. On the other hand, micrographs of selected samples clearly show that the minority Nb$_{ss}$ forms a three-dimensional network of filaments that meander around the grains of the majority phase, forming a percolation path. Here we report the superconductivity of the Nb$_{ss}$ phase, and argue that the low superconducting volume fraction of non-stoichiometric NbB and zero resistance are due to the filaments of the minority phase. The electronic contribution to the entropy of the superconducting state, yielded from an analysis using the alpha model for single-band systems, indicates that the Sommerfeld constant of the arc-melted samples is close to the values found in non-superconducting NbB. Micrograph, XRD, and bulk measurements of magnetization, electrical resistivity, and specific heat suggest that the superconducting state in the NbB samples bearing some Nb$_{ss}$ minority phase is due to the latter.

cond-mat.supr-con↗

arXiv2017

Doping-induced superconductivity of ZrB$_2$ and HfB$_2$

Unlike the widely studied $s$-type two-gap superconductor MgB$_2$, the chemically similar compounds ZrB$_2$ and HfB$_2$ do not superconduct above 1 K. Yet, it has been shown that small amounts of self- or extrinsic doping (in particular with vanadium), can induce superconductivity in these materials. Based on results of different macro- and microscopic measurements, including magnetometry, nuclear magnetic resonance (NMR), resistivity, and muon-spin rotation ($μ$SR), we present a comparative study of Zr$_{0.96}$V$_{0.04}$B$_2$ and Hf$_{0.97}$V$_{0.03}$B$_2$. Their key magnetic and superconducting features are determined and the results are considered within the theoretical framework of multiband superconductivity proposed for MgB$_2$. Detailed Fermi surface (FS) and electronic structure calculations reveal the difference between MgB$_2$ and transition-metal diborides.

cond-mat.supr-con↗

arXiv2014

Conventional Superconductivity properties of the ternary boron-nitride Nb2BN

Superconducting bulk properties of ternary Nb2 BN are confirmed and are described by means of magnetization, electronic transport and specific-heat measurements. BCS conventional super- conductivity is found with Tc = 4.4 K. Critical fields Hc1 (0)= 93 Oe and Hc2 (0)= 2082 Oe are extrapolated by magnetic and resistivity measurements. The specific heat data reveals γ = 6.3 mJ/mol K2 and β = 0.293 mJ/mol K4 in good agreement with the BCS Theory.

cond-mat.supr-con↗

arXiv2006

Orthorhombic to tetragonal phase transition and superconductivity in the Ba2Cu3O4Cl2 compound

In this work we have investigated the orthorhombic to tetragonal phase transition in the Ba2Cu3O4Cl2 compound. This transition was observed by X-ray powder diffractometry carried out in samples heat treated between 700 and 750OC and also in samples with Ba2ZnCu2O4Cl2 composition. Results of X-ray diffractograms simulation confirm the phase transition. dc-Magnetization measurements performed in SQUID showed the existence of diamagnetism signal. The results suggest the existence of localized superconductivity and can explain the different magnetic properties reported in literature for the Ba2Cu3O4Cl2 compound.

cond-mat.mtrl-sci↗

arXiv2006

Superconductivity in the Nb2SnC compound

Nb2SnC is a member of the large family of lamellar materials that crystallize in the hexagonal structure with space group P63/mmc which are isomorphs with Cr2AlC, also named H-phase. In spite of the great number of compounds which belong to this family, the superconductivity has been reported only for two cases: Mo2GaC and Nb2SC. In this work we show that superconductivity can be observed in Nb2SnC depending on the synthesis method used. The quality of the superconductor is strongly dependent of the synthesis method and the optimal results were reached for samples synthesized at 2.5 GPa and 523 +/- 50oC. This sample showed a critical temperature close to 7.8K, revealed from magnetization and transport measurement, the highest critical temperature reported up to now for an H-phase.

cond-mat.supr-con↗

arXiv2006

Transport Properties of Granular High-TC Superconductors

We report on the application of the Resistively Shunted Junction (RSJ) model to granular high-TC superconductors. Some derived predictions of the RSJ model are applied to a set of superconducting granular samples which can be considered as a network of Josephson junctions. The investigated samples belong to both hole-doped Y1-xPrxBa2Cu3O7-d (x = 0.0, 0.35, and 0.45) and the electron-doped Sm2-xCexCuO4-d (x = 0.18) systems which display the so-called double resistive superconducting transition. We have performed several transport measurements in these compounds including temperature and magnetic field dependence of the electrical resistance, R(T,H), and I-V characteristics. Several aspects of the I-V characteristics were quantitatively well described by the RSJ model. The combined results strongly suggest that dissipation in granular superconducting samples is a natural consequence of the normal current flowing in parallel with the supercurrent current.

cond-mat.supr-con↗