arXiv subjects

Rafael M. Fernandes

Publications and source records attributed to Rafael M. Fernandes.

At least 91 records · Page 5Linked to original sources

arXiv2022

Impact of Sb degrees of freedom on the charge density wave phase diagram of the kagome metal CsV$_3$Sb$_5$

Elucidating the microscopic mechanisms responsible for the charge density wave (CDW) instability of the AV$_3$Sb$_5$ (A=Cs, K, Rb) family of kagome metals is critical for understanding their unique properties, including superconductivity. In these compounds, distinct CDW phases with wave-vectors at the $M$ and $L$ points are energetically favorable, opening the possibility of tuning the type of CDW order by appropriate external parameters. Here, we shed light on the CDW landscape of CsV$_3$Sb$_5$ via a combination of first-principles calculations and phenomenology, which consists of extracting the coefficients of the CDW Landau free-energy expansion from density functional theory. We find that while the main structural distortions of the kagome lattice in the staggered tri-hexagonal CDW phase are along the nearest-neighbor V-V bonds, distortions associated with the Sb ions play a defining role in the energy gain in this and all other CDW states. Moreover, the coupling between ionic displacements from different unit cells is small, thus explaining the existence of multiple CDW instabilities with different modulations along the c-axis. We also investigate how pressure and temperature impact the CDW phase of CsV$_3$Sb$_5$. Increasing pressure does not change the staggered tri-hexagonal CDW ground state, even though the $M$-point CDW instability disappears before the $L$-point one, a behavior that we attribute to the large nonlinear coupling between the order parameters. Upon changing the temperature, we find a narrow regime in which another transition can take place, toward a tri-hexagonal Star-of-David CDW phase. We discuss the implications of our results by comparing them with experiments on this compound.

cond-mat.mtrl-sci↗

arXiv2022

Defect-induced electronic smectic state at the surface of nematic materials

Due to the intertwining between electronic nematic and elastic degrees of freedom, lattice defects and structural inhomogeneities commonly found in crystals can have a significant impact on the electronic properties of nematic materials. Here, we show that defects commonly present at the surface of crystals generally shift the wave-vector of the nematic instability to a non-zero value, resulting in an incommensurate electronic smectic phase. Such a smectic state onsets above the bulk nematic transition temperature and is localized near the surface of the sample. We argue that this effect may explain not only recent observations of a modulated nematic phase in iron-based superconductors, but also several previous puzzling experiments that reported signatures consistent with nematic order before the onset of a bulk structural distortion.

cond-mat.supr-con↗

arXiv2022

Synergetic ferroelectricity and superconductivity in zero-density Dirac semimetals near quantum criticality

We study superconductivity in a three-dimensional zero-density Dirac semimetal in proximity to a ferroelectric quantum critical point. We find that the interplay of criticality, inversion-symmetry breaking, and Dirac dispersion gives rise to a robust superconducting state at the charge-neutrality point, where no Fermi surface is present. Using Eliashberg theory, we show that the ferroelectric quantum critical point is unstable against the formation of a ferroelectric density wave (FDW), whose fluctuations, in turn, lead to a first-order superconducting transition. Surprisingly, long-range superconducting and FDW orders are found to cooperate with each other, in contrast to the more usual scenario of phase competition. Therefore, we suggest that driving charge neutral Dirac materials, e.g., Pb$_x$Sn$_{1-x}$Te, through a ferroelectric quantum critical point may lead to superconductivity intertwined with FDW order.

cond-mat.supr-con↗

arXiv2022

Loop currents in $A$V$_3$Sb$_5$ kagome metals: multipolar and toroidal magnetic orders

Experiments in the recently discovered vanadium-based kagome metals have suggested that their charge-ordered state displays not only bond distortions, characteristic of a ``real" charge density-wave (rCDW), but also time-reversal symmetry-breaking, typical of loop currents described by an ``imaginary" charge density-wave (iCDW). Here, we combine density-functional theory, group-theory, and phenomenological modeling to investigate the complex charge-ordered states that arise from interactions between the low-energy van Hove singularities present in the electronic structure of $A$V$_3$Sb$_5$. We find two broad classes of mixed iCDW-rCDW configurations: triple-$\mathbf{Q}$ iCDW, triple-$\mathbf{Q}$ rCDW order, dubbed $3\mathbf{Q}$-$3\mathbf{Q}$, and double-$\mathbf{Q}$ iCDW, single-$\mathbf{Q}$ rCDW order, dubbed $2\mathbf{Q}$-$1\mathbf{Q}$. Moreover, we identify seven different types of iCDW order, stemming from the different vanadium-orbital and kagome-sublattice structures of the two pairs of van Hove singularities present above and below the Fermi level. While the $2\mathbf{Q}$-$1\mathbf{Q}$ states trigger an orthorhombic distortion that breaks the threefold rotational symmetry of the kagome lattice, the $3\mathbf{Q}$-$3\mathbf{Q}$ states induce various types of subsidiary uniform magnetic orders, from conventional ferromagnetism to magnetic octupolar, magnetic toroidal, and even magnetic monopolar order. We show that these exotic orders display unique magneto-striction, magneto-electric, and magneto-electric-striction properties that can be probed experimentally to identify which iCDW state is realized in these compounds. We briefly discuss the impact of an out-of-plane modulation of the charge order and the interplay between these complex charge-ordered states and superconductivity.

cond-mat.str-el↗

arXiv2022

Weak-Coupling Theory of Pair Density-Wave Instabilities in Transition Metal Dichalcogenides

The possibility of realizing pair density wave (PDW) phases, in which Cooper pairs have a finite momentum, presents an interesting challenge that has been studied in a wide variety of systems. In conventional superconductors, this is only possible when external fields lift the spin degeneracy of the Fermi surface, leading to pair formation at an incommensurate momentum. Here, we study a second possibility, potentially relevant to transition metal dichalcogenides, in which the Fermi surface consists of a pair of pockets centered at the $\pm K$ points of the Brillouin zone as well as a central pocket at the $Γ$ point. In the limit where these three pockets are identical, the pairing susceptibility has a logarithmic divergence at the non-zero wave-vectors $\pm \mathbf{K}$, allowing for a weak-coupling analysis of the PDW instability. We find that repulsive electronic interactions combine to yield effective attractive interactions in the singlet and triplet PDW channels, as long as the $Γ$ pocket is present. Because these PDW channels decouple from the uniform superconducting channel, they can become the leading unconventional pairing instability of the system. Upon solving the linearized gap equations, we find that the PDW instability is robust against small trigonal warping of the $\pm K$ pockets and small detuning between the $Γ$ and $\pm K$ pockets, which affect the PDW transition in a similar way as the Zeeman magnetic field affects the uniform superconducting transition. We also derive the Ginzburg-Landau free energy for the PDW gaps with momenta $\pm \mathbf{K}$, analyzing the conditions for and consequences of the emergence of FF-type and LO-type PDW ground states. Our classification of the induced orders in each ground state reveals unusual phases, including an odd-frequency charge-$2e$ superconductor in the LO-type PDW.

cond-mat.supr-con↗

arXiv2022

Anomalous Shiba states in topological iron-based superconductors

We demonstrate the formation of robust zero energy modes close to magnetic impurities in the iron-based superconductor FeSe$_{1-x}$Te$_x$. We find that the Zeeman field generated by the impurity favors a spin-triplet inter-orbital pairing as opposed to the spin-singlet intra-orbital pairing prevalent in the bulk. The preferred spin-triplet pairing preserves time-reversal symmetry and is topological, as robust, topologically-protected zero modes emerge at the boundary between regions with different pairing states. Moreover, the zero modes form Kramers doublets that are insensitive to the direction of the spin polarization or to the separation between impurities. We argue that our theoretical results are consistent with recent experimental measurements on FeSe$_{1-x}$Te$_x$.

cond-mat.supr-con↗

arXiv2022

Hot-lines topology and the fate of the spin resonance mode in three-dimensional unconventional superconductors

In the quasi-two-dimensional (quasi-2D) copper- and iron-based superconductors, the onset of superconductivity is accompanied by a prominent peak in the magnetic spectrum at momenta close to the wave-vector of the nearby antiferromagnetic state. Such a peak is well described in terms of a spin resonance mode, i.e., a spin-1 exciton theoretically predicted for quasi-2D superconductors with a sign-changing gap. The same theories, however, indicate that such a resonance mode should be absent in a three-dimensional (3D) system with a spherical Fermi surface. This raises the question of the fate of the spin resonance mode in layered unconventional superconductors that are not strongly anisotropic, such as certain heavy-fermion compounds and potentially the newly discovered nickelate superconductor NdNiO$_2$. Here, we use the random-phase-approximation to calculate the dynamical spin susceptibility of 3D superconductors with a $d_{x^2-y^2}$-wave gap symmetry and corrugated cylindrical-like Fermi surfaces. By varying the out-of-plane hopping anisotropy $t_z/t$, we demonstrate that the appearance of a spin resonance mode is determined by the topology of the hot lines -- i.e. lines on the Fermi surface that are connected by the magnetic wave-vector. For an in-plane antiferromagnetic wave-vector, the hot lines undergo a topological transition from open lines to closed loops at a critical $t_z/t$ value. The closed hot lines cross the nodal superconducting lines, making the spin resonance mode overdamped and incoherent. In contrast, for an out-of-plane antiferromagnetic wave-vector, the hot lines remain open and the spin resonance mode remains sharp. We discuss the experimental implications of our results for the out-of-plane dispersion of the spin resonance mode and, more generally, for inelastic neutron scattering experiments on unconventional superconductors.

cond-mat.supr-con↗

arXiv2022

The role of electromagnetic gauge-field fluctuations in the selection between chiral and nematic superconductivity

Motivated by the observation of nematic superconductivity in several systems, we revisit the problem of the leading pairing instability of two-component unconventional superconductors on the triangular lattice -- such as $(p_{x},\,p_{y})$-wave and $(d_{x^{2}-y^{2}},\,d_{xy})$-wave. Such a system has two possible superconducting states: the chiral state (e.g. $p+ip$ or $d+id$), which breaks time-reversal symmetry, and the nematic state (e.g. $p+p$ or $d+d$), which breaks the threefold rotational symmetry of the lattice. Weak-coupling calculations generally favor the chiral over the nematic superconducting state, raising the question of what mechanism can stabilize the latter. Here, we show that the electromagnetic field fluctuations can play a crucial role in selecting between these two states. Specifically, we derive and analyze the effective free energy for the two-component superconducting order parameter after integrating out the gauge-field fluctuations, which is formally justified if the spatial order parameter fluctuations can be neglected. A non-analytic cubic term arises, as in the case of a conventional $s$-wave superconductor. However, unlike the latter, the cubic term depends on the relative phase and on the relative amplitudes between the two order parameter components, in such a way that it generally favors the nematic state. This result is a direct consequence of the fact that the stiffness of the superconducting order parameter is not isotropic. Competition with the quartic term, which favors the chiral state, leads to a renormalized phase diagram in which the nematic state displaces the chiral state over a wide region in the parameter space. We analyze the stability of the fluctuation-induced nematic phase, generalize our results to tetragonal lattices, and discuss their applicability to candidate nematic superconductors, including twisted bilayer graphene.

cond-mat.supr-con↗

arXiv2022

Thermodynamic and electrical transport properties of UTe$_2$ under uniaxial stress

Despite intense experimental efforts, the nature of the unconventional superconducting order parameter of UTe$_2$ remains elusive. This puzzle stems from different reported numbers of superconducting transitions at ambient pressure, as well as a complex pressure-temperature phase diagram. To bring new insights into the superconducting properties of UTe$_2$, we measured the heat capacity and electrical resistivity of single crystals under compressive uniaxial stress $σ$ applied along different crystallographic directions. We find that the critical temperature $T_{\rm c}$ of the single observed bulk superconducting transition decreases with $σ$ along $[100]$ and $[110]$ but increases with $σ$ along $[001]$. Aside from its effect on $T_{\rm c}$, we notice that $c$-axis stress leads to a significant piezoresistivity, which we associate with the shift of the zero-pressure resistivity peak at $T^\star \approx 15\, \rm K$ to lower temperatures under stress. Finally, we show that an in-plane shear stress $σ_{xy}$ does not induce any observable splitting of the superconducting transition over a stress range of $σ_{xy}\approx 0.17 \, \rm GPa$. This result suggests that the superconducting order parameter of UTe$_2$ may be single-component at ambient pressure.

cond-mat.supr-con↗

arXiv2022

Uniaxial strain control of bulk ferromagnetism in rare-earth titanates

The perovskite rare-earth titanates are model Mott insulators with magnetic ground states that are very sensitive to structural distortions. These distortions couple strongly to the orbital degrees of freedom and, in principle, it should be possible to tune the superexchange and the magnetic transition with strain. We investigate the representative system (Y,La,Ca)TiO$_3$, which exhibits low crystallographic symmetry and no structural instabilities. From magnetic susceptibility measurements of the Curie temperature, we demonstrate direct, reversible and continuous control of ferromagnetism by influencing the TiO$_6$ octahedral tilts and rotations with uniaxial strain. The relative change in $T_C$ as a function of strain is well described by ab initio calculations, which provides detailed understanding of the complex interactions among structural, orbital and magnetic properties in rare-earth titanates. The demonstrated manipulation of octahedral distortions opens up far-reaching possibilities for investigations of electron-lattice coupling, competing ground states, and magnetic quantum phase transitions in a wide range of quantum materials.

cond-mat.str-el↗

arXiv2022

Strain-tunable metamagnetic critical endpoint in Mott insulating rare-earth titanates

Rare-earth titanates are Mott insulators whose magnetic ground state -- antiferromagnetic (AFM) or ferromagnetic (FM) -- can be tuned by the radius of the rare-earth element. Here, we combine phenomenology and first-principles calculations to shed light on the generic magnetic phase diagram of a chemically substituted titanate on the rare-earth site that interpolates between an AFM and a FM state. Octahedral rotations present in these perovskites cause the AFM order to acquire a small FM component -- and vice-versa -- removing any multicritical point from the phase diagram. However, for a wide parameter range, a first-order metamagnetic transition line terminating at a critical endpoint survives inside the magnetically ordered phase. Like the liquid-gas transition, a Widom line emerges from the endpoint, characterized by enhanced fluctuations. In contrast to metallic FMs, this metamagnetic transition involves two symmetry-equivalent and insulating canted spin states. Moreover, instead of a magnetic field, we show that uniaxial strain can be used to tune this transition to zero temperature, inducing a quantum critical endpoint.

cond-mat.str-el↗

arXiv2022

Charge order breaks time-reversal symmetry in CsV$_3$Sb$_5$

The recently discovered vanadium-based kagome metals $A$V$_{3}$Sb$_{5}$ ($A$~=~K,~Rb,~Cs) exhibit superconductivity at low-temperatures and charge density wave (CDW) order at high-temperatures. A prominent feature of the charge ordered state in this family is that it breaks time-reversal symmetry (TRSB), which is connected to the underlying topological nature of the band structure. In this work, a powerful combination of zero-field and high-field muon-spin rotation/relaxation is used to study the signatures of TRSB of the charge order in CsV$_3$Sb$_5$, as well as its anisotropic character. By tracking the temperature evolution of the in-plane and out-of-plane components of the muon-spin polarization, an enhancement of the internal field width sensed by the muon-spin ensemble was observed below $T_{\rm TRSB}=T_{\rm CDW}\simeq95$~K. Additional increase of the internal field width, accompanied by a change of the local field direction at the muon site from the $ab$-plane to the $c$-axis, was detected below $T^\ast\simeq30$~K. Remarkably, this two-step feature becomes well pronounced when a magnetic field of 8~T is applied along the crystallographic $c-$axis, thus indicating a field-induced enhancement of the electronic response at the CDW transition. These results point to a TRSB in CsV$_3$Sb$_5$ by charge order with an onset of ${\simeq}~95$~K, followed by an enhanced electronic response below ${\simeq}~30$~K. The observed two-step transition is discussed within the framework of different charge-order instabilities, which, in accordance with density functional theory calculations, are nearly degenerate in energy.

cond-mat.str-el↗

arXiv2022

Two types of charge order in the superconducting kagome material CsV$_3$Sb$_5$

The kagome metals of the family $A$V$_3$Sb$_5$, featuring a unique structural motif, harbor an array of intriguing phenomena such as chiral charge order and superconductivity. CsV$_3$Sb$_5$ is of particular interest because it displays a double superconducting dome in the region of the temperature-pressure phase diagram where charge order is still present. However, the microscopic origin of such an unusual behavior remains an unsolved issue. Here, to address it, we combine high-pressure, low-temperature muon spin relaxation with first-principles calculations. We observe a pressure-induced threefold enhancement of the superfluid density, which also displays a double peak feature, similar to the superconducting critical temperature. This leads to three distinct regions in the phase diagram, each of which features distinct slopes of the linear relation between superfluid density and the critical temperature. These results are attributed to a possible evolution of the charge order pattern from the superimposed tri-hexagonal Star-of-David phase at low pressures (within the first dome) to the staggered tri-hexagonal phase at intermediate pressures (between the first and second domes). Our findings suggest a change in the nature of the charge ordered state across the phase diagram of CsV$_3$Sb$_5$, with varying degrees of competition with superconductivity.

cond-mat.supr-con↗

arXiv2022

Phonon-induced rotation of the electronic nematic director in superconducting Bi$_{2}$Se$_{3}$

The doped topological insulator $A_{x}\mathrm{Bi_{2}Se_{3}}$, with $A=\{\mathrm{Cu},\mathrm{Sr},\mathrm{Nb}\}$, becomes a nematic superconductor below $T_{c}\sim3-4\,\mathrm{K}$. The associated electronic nematic director is described by an angle $α$ and is experimentally manifested in the elliptical shape of the in-plane critical magnetic field $H_{c2}$. Because of the threefold rotational symmetry of the lattice, $α$ is expected to align with one of three high-symmetry directions corresponding to the in-plane nearest-neighbor bonds, consistent with a $Z_{3}$-Potts nematic transition. Here, we show that the nematic coupling to the acoustic phonons, which makes the nematic correlation length tend to diverge along certain directions only, can fundamentally alter this phenomenology in trigonal lattices. Compared to hexagonal lattices, the former possesses a sixth independent elastic constant $c_{14}$ due to the fact that the in-plane shear strain doublet $(ε_{xx}-ε_{yy},-2ε_{xy})$ and the out-of-plane shear strain doublet $(2ε_{yz},-2ε_{xz})$ transform as the same irreducible representation. We find that, when $c_{14}$ overcomes a threshold value, which is expected to be the case in doped $\mathrm{Bi_{2}Se_{3}}$, the nematic director $α$ unlocks from the high-symmetry directions due to the competition between the quadratic phonon-mediated interaction and the cubic nematic anharmonicity. This implies the breaking of the residual in-plane twofold rotational symmetry ($C_{2x}$), resulting in a triclinic phase. We discuss the implications of these findings to the structure of nematic domains and to the shape of the in-plane $H_{c2}$ in $A_{x}\mathrm{Bi_{2}Se_{3}}$, and to presence of nodes inside the superconducting state.

cond-mat.supr-con↗

arXiv2022

Ironing out the details of unconventional superconductivity

Superconductivity is a remarkably widespread phenomenon observed in most metals cooled down to very low temperatures. The ubiquity of such conventional superconductors, and the wide range of associated critical temperatures, is readily understood in terms of the celebrated Bardeen-Cooper-Schrieffer (BCS) theory. Occasionally, however, unconventional superconductors are found, such as the iron-based materials, which extend and defy this understanding in new and unexpected ways. In the case of the iron-based superconductors, this includes a new appreciation of the ways in which the presence of multiple atomic orbitals can manifest in unconventional superconductivity, giving rise to a rich landscape of gap structures that share the same dominant pairing mechanism. Besides superconductivity, these materials have also led to new insights into the unusual metallic state governed by the Hund's interaction, the control and mechanisms of electronic nematicity, the impact of magnetic fluctuations and quantum criticality, and the significance of topology in correlated states. Over the thirteen years since their discovery, they have proven to be an incredibly fruitful testing ground for the development of new experimental tools and theoretical approaches, both of which have extensively influenced the wider field of quantum materials.

cond-mat.supr-con↗

arXiv2021

Random-strain-induced correlations in materials with intertwined nematic and magnetic orders

Electronic nematicity is rarely observed as an isolated instability of a correlated electron system. Instead, in iron pnictides and in certain cuprates and heavy-fermion materials, nematicity is intertwined with an underlying spin-stripe or charge-stripe state. As a result, random strain, ubiquitous in any real crystal, creates both random-field disorder for the nematic degrees of freedom and random-bond disorder for the spin or charge ones. Here, we put forward an Ashkin-Teller model with random Baxter fields to capture the dual role of random strain in nematic systems for which nematicity is a composite order arising from a stripe state. Using Monte Carlo to simulate this $\textit{random Baxter-field model}$, we find not only the expected break-up of the system into nematic domains, but also the emergence of nontrivial disorder-promoted magnetic correlations. Such correlations enhance and tie up the fluctuations associated with the two degenerate magnetic stripe states from which nematicity arises, leaving characteristic signatures in the spatial profile of the magnetic domains, in the configurational space of the spin variables, and in the magnetic noise spectrum. We discuss possible experimental manifestations of these effects in iron-pnictide superconductors. Our work establishes the random Baxter-field model as a more complete alternative to the random-field Ising model to describe complex electronic nematic phenomena in the presence of disorder.

cond-mat.str-el↗

arXiv2021

Degradation of phonons in disordered moiré superlattices

The elastic collective modes of a moiré superlattice arise not from vibrations of a rigid crystal but from the relative displacement between the constituent layers. Despite their similarity to acoustic phonons, these modes, called phasons, are not protected by any conservation law. Here, we show that disorder in the relative orientation between the layers and thermal fluctuations associated with their sliding motion degrade the propagation of sound in the moiré superlattice. Specifically, the phason modes become overdamped at low energies and acquire a finite gap, which displays a universal dependence on the twist-angle variance. Thus, twist-angle inhomogeneity is manifested not only in the non-interacting electronic structure of moiré systems, but also in their phonon-like modes. More broadly, our results have important implications for the electronic properties of twisted moiré systems that are sensitive to the electron-phonon coupling.

cond-mat.mes-hall↗

arXiv2021

Field-tuned ferroquadrupolar quantum phase transition in the insulator TmVO$_{4}$

We report results of low-temperature heat capacity, magnetocaloric effect and neutron diffraction measurements of TmVO$_{4}$, an insulator that undergoes a continuous ferroquadrupolar phase transition associated with local partially-filled $4f$ orbitals of the thulium (Tm$^{3+}$) ions. The ferroquadrupolar transition, a realization of Ising nematicity, can be tuned to a quantum critical point using a magnetic field oriented along the $c$-axis of the tetragonal crystal lattice, which acts as an effective transverse field for the Ising-nematic order. In small magnetic fields, the thermal phase transition can be well-described using a semi-classical mean field treatment of the transverse field Ising model. However, in higher magnetic fields, closer to the field-tuned quantum phase transition, subtle deviations from this semi-classical behavior are observed due to quantum fluctuations. Although the phase transition is driven by the local $4f$ degrees of freedom, the crystal lattice still plays a crucial role, both in terms of mediating the interactions between the local quadrupoles, and in determining the critical scaling exponents, even though the phase transition itself can be described via mean field. In particular, bilinear coupling of the nematic order parameter to acoustic phonons changes the spatial and temporal fluctuations of the former in a fundamental way, resulting in different critical behavior of the nematic transverse-field Ising model as compared to the usual case of the magnetic transverse-field Ising model. Our results establish TmVO$_{4}$ as a model material, and electronic nematicity as a paradigmatic example, for quantum criticality in insulators.

cond-mat.str-el↗