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Canio Noce

Publications and source records attributed to Canio Noce.

At least 19 recordsLinked to original sources

Emerging new phases in correlated Mott insulator Ca2RuO4

The Mott insulator Ca2RuO4 is a paradigmatic example among transition metal oxides, where the interplay of charge, spin, orbital, and lattice degrees of freedom leads to competing quantum phases. In this paper, we focus on and review some key aspects, from the underlying physical framework and its basic properties, to recent theoretical efforts that aim to trigger unconventional quantum ground states, using several external parameters and stimuli. Using first-principle calculations, we demonstrate that Ca2RuO4 shows a spin splitting in the reciprocal space, and identify it as an altermagnetic candidate material. The non relativistic spin-splitting has an orbital selective nature, dictated by the local crystallographic symmetry. Next, we consider two routes that may trigger exotic quantum states. The first one corresponds to transition metal substitution of the 4d4 Ru with isovalent 3d3 ions. This substitutional doping may alter the spin-orbital correlations favoring the emergence of negative thermal expansion. The second route explores fledgling states arising in a nonequilibrium steady state under the influence of an applied electric field. We show that the electric field can directly affect the orbital density, eventually leading to strong orbital fluctuations and the suppression of orbital imbalance, which may, in turn, reduce antiferromagnetism. These aspects suggest possible practical applications, as its unique properties may open up possibilities for augmenting existing technologies, surpassing the limitations of conventional materials.

cond-mat.str-el

Magnetic exchange interaction in spin-valve with chiral spin-triplet superconductor

The coupling between two ferromagnets separated by a superconductor has been mostly investigated for the case of Cooper pairs with spin-singlet symmetry. Here, we consider a spin-triplet superconductor with chiral pairing. By full self-consistent analysis of the spatial dependent superconducting order parameter, we determine the magnetic ground state of the superconducting spin valve. The study is performed by investigating the role of the orientation and strength of the magnetization in the ferromagnets including spin-valve asymmetries in the magnetic configurations. Due to the nonvanishing angular momentum of the spin-triplet Cooper pairs we demonstrate that the induced magnetic coupling has an anisotropic character and a structure that can favor collinear or noncollinear magnetic orientations, thus mimicking a magnetic interaction of the Heisenberg or Dzyaloshinskii-Moriya type, respectively. We investigate the role of the physical parameters controlling the character of the magnetic exchange: the amplitude of the magnetization in the ferromagnets and the length of the superconducting spacer in the spin valve. Our study demonstrates that spin-triplet superconductors can be employed to devise anisotropic magnetic exchange and to allow for transitions in the spin-valve state from a collinear to noncollinear magnetic configuration.

cond-mat.supr-con

Unveiling unconventional magnetism at the surface of Sr$_2$RuO$_4$

Materials with strongly correlated electrons exhibit physical properties that are often difficult to predict as they result from the interactions of large numbers of electrons combined with several quantum degrees of freedom. The layered oxide perovskite Sr$_2$RuO$_4$ is a strongly correlated electron material that has been intensively investigated since its discovery due to its unusual physical properties. Whilst recent experiments have reopened the debate on the exact symmetry of the superconducting state in Sr$_2$RuO$_4$, a deeper understanding of the Sr$_2$RuO$_4$ normal state appears crucial as this is the background in which electron pairing occurs. Here, by using low-energy muon spin spectroscopy we discover the existence of magnetism at the surface of Sr$_2$RuO$_4$ in its normal state. We detect static weak dipolar fields yet manifesting below a relatively high onset temperature larger than 50 K, which reveals the unconventional nature of the observed magnetism. We relate the origin of this phase breaking time reversal symmetry to electronic ordering in the form of orbital loop currents that originate at the reconstructed Sr$_2$RuO$_4$ surface. Our observations set a reference for the discovery of the same magnetic phase in other materials and unveil an electronic ordering mechanism that can influence unconventional electron pairing with broken time reversal symmetry in those materials where the observed magnetic phase coexists with superconductivity.

cond-mat.str-el

Pattern Formation by Electric-field Quench in Mott Crystal

The control of Mott phase is intertwined with the spatial reorganization of the electronic states. Out-of-equilibrium driving forces typically lead to electronic patterns that are absent at equilibrium, whose nature is however often elusive. Here, we unveil a nanoscale pattern formation in the Ca$_2$RuO$_4$ Mott insulator. We demonstrate how an applied electric field spatially reconstructs the insulating phase that, uniquely after switching off the electric field, exhibits nanoscale stripe domains. The stripe pattern has regions with inequivalent octahedral distortions that we directly observe through high-resolution scanning transmission electron microscopy. The nanotexture depends on the orientation of the electric field, it is non-volatile and rewritable. We theoretically simulate the charge and orbital reconstruction induced by a quench dynamics of the applied electric field providing clear-cut mechanisms for the stripe phase formation. Our results open the path for the design of non-volatile electronics based on voltage-controlled nanometric phases.

cond-mat.str-el

Spin-orbital mechanisms for negative thermal expansion in Ca2RuO$_4$

The phenomenon of negative thermal expansion (NTE) deals with the increase of the lattice parameters and the volume of the unit cell when the material is thermally cooled. The NTE is typically associated with thermal phonons and anomalous spin-lattice coupling at low temperatures. However, the underlying mechanisms in the presence of strong electron correlations in multi-orbital systems are not yet fully established. Here, we investigate the role of Coulomb interaction in the presence of lattice distortions in setting out the NTE effect, by focusing on the physical case of layered Ca$_2$RuO$_4$ with $d^4$ configuration at each Ru ion site. We employ the Slater-Koster parametrization to describe the electron-lattice coupling through the dependence of the $d-p$ hybridization on the Ru-O-Ru bond angle. The evaluation of the minimum of the free energy at finite temperature by fully solving the multi-orbital many-body problem on finite size cluster allows us to identify the regime for which the system is prone to exhibit NTE effects. The analysis shows that the nature of the spin-orbital correlations is relevant to drive the reduction of the bond angle by cooling, and in turn the tendency toward a NTE. This is confirmed by the fact that a changeover of the electronic and orbital configuration from $d^4$ to $d^3$ by transition metal substitution is shown to favor the occurrence of NTE in Ca$_2$RuO$_4$. This finding is in agreement with the experimental observations of a NTE effect which is significantly dependent on the transition metal substitution in the Ca$_2$RuO$_4$ compound.

cond-mat.str-el

Topological transition in Pb1-xSnxSe using Meta-GGA

We calculate the mirror Chern number (MCN) and the band gap for the alloy Pb1-xSnxSe as a function of the concentration x by using virtual crystalline approximation. We use the electronic structure from the relativistic density functional theory calculations in the Generalized-Gradient- Approximation (GGA) and meta-GGA approximation. Using the modified Becke-Johnson meta- GGA functional, our results are comparable with the available experimental data for the MCN as well as for the band gap. We advise to use modified Becke-Johnson approximation with the parameter c=1.10 to describe the transition from trivial to topological phase for this class of compounds.

cond-mat.mtrl-sci

Designing spin and orbital sources of Berry curvature at oxide interfaces

Quantum materials can display physical phenomena rooted in the geometry of electronic wavefunctions. The corresponding geometric tensor is characterized by an emergent field known as Berry curvature (BC). Large BCs typically arise when electronic states with different spin, orbital or sublattice quantum numbers hybridize at finite crystal momentum. In all materials known to date, the BC is triggered by the hybridization of a single type of quantum number. Here, we report the discovery of the first material system having both spin and orbital-sourced BC: LaAlO$_3$/SrTiO$_3$ interfaces grown along the [111] direction. We detect independently these two sources and directly probe the BC associated to the spin quantum number through measurements of an anomalous planar Hall effect. The observation of a nonlinear Hall effect with time-reversal symmetry signals large orbital-mediated BC dipoles. The coexistence of different forms of BC enables the combination of spintronic and optoelectronic functionalities in a single material.

cond-mat.mes-hall

Orbital design of Berry curvature: pinch points and giant dipoles induced by crystal fields

The Berry curvature (BC) - a quantity encoding the geometric properties of the electronic wavefunctions in a solid - is at the heart of different Hall-like transport phenomena, including the anomalous Hall and the non-linear Hall and Nernst effects. In non-magnetic quantum materials with acentric crystalline arrangements, local concentrations of BC are generally linked to single-particle wavefunctions that are a quantum superposition of electron and hole excitations. BC-mediated effects are consequently observed in two-dimensional systems with pairs of massive Dirac cones and three-dimensional bulk crystals with quartets of Weyl cones. Here, we demonstrate that in materials equipped with orbital degrees of freedom local BC concentrations can arise even in the complete absence of hole excitations. In these solids, the crystals fields appearing in very low-symmetric structures trigger BCs characterized by hot-spots and singular pinch points. These characteristics naturally yield giant BC dipoles and large non-linear transport responses in time-reversal symmetric conditions.

cond-mat.mes-hall

Spin and charge transport in ferromagnet-superconductor-ferromagnet heterostructures: Stoner versus spin mass mismatch mechanism

We study transport phenomena through a ballistic ferromagnet-superconductor-ferromagnet (F/S/F) junction, comparing the case in which the ferromagnetic order in the two F layers is of the standard Stoner type with the case where it is driven by a spin mass mismatch (SMM). It is shown that the two mechanisms lead to a different behavior in the charge and the spin conductances, especially when compared to the corresponding non-superconducting ferromagnet-normal-ferromagnet (F/N/F) junctions. In particular, when the injected current is perpendicular to the barrier, for high barrier transparency and large magnetization of the F layers, the large mass mismatch gives rise to an enhancement of both low-bias charge and spin conductances of the F/S/F junction, which is not observed in the equal-mass case. When all the allowed injection directions are considered, the low bias enhancement of the charge conductance for SMM leads still holds for high barrier transparency and large magnetization of the F layers. However, in the case of non-transparent interfaces, spin transport with SMM ferromagnets exhibits an opposite sign response with respect to the Stoner case at high biases for all magnetization values, also manifesting a significant amplification induced by superconductivity at the gap edge. The above mentioned differences can be exploited to probe the nature of the electronic mechanism underlying the establishment of the ferromagnetic order in a given material.

cond-mat.supr-con

Limited ferromagnetic interactions in monolayers of MPS$_3$ (M=Mn, Ni)

We present a systematic study of the electronic and magnetic properties of two-dimensional ordered alloys, consisting of two representative hosts (MnPS$_3$ and NiPS$_3$) of transition metal phosphorus trichalcogenides doped with $3d$ elements. For both hosts our DFT+U calculations are able to qualitatively reproduce the ratios and signs of all experimentally observed magnetic couplings. The relative strength of all antiferromagnetic exchange couplings, both in MnPS$_3$ as well as in NiPS$_3$, can successfully be explained using an effective direct exchange model: they reveal that the third-neighbor exchange dominates in NiPS$_3$ due to the filling of the $t_{2g}$ subshell, whereas for MnPS$_3$ the first neighbor exchange is prevailed owing to the presence of the $t_{2g}$ magnetism. On the other hand, the nearest neighbor ferromagnetic coupling in NiPS$_3$ can only be explained using a more complex superexchange model and is (also) largely triggered by the absence of the $t_{2g}$ magnetism. For the doped systems, the DFT+U calculations revealed that magnetic impurities do not affect the magnetic ordering observed in the pure phases and thus in general in these systems ferromagnetism may not be easily induced by such a kind of elemental doping. However, unlike for the hosts, the first and second (dopant-host) exchange couplings are of similar order of magnitude. This leads to frustration in case of antiferromagnetic coupling and may be one of the reasons of the observed lower magnetic ordering temperature of the doped systems.

cond-mat.mtrl-sci

Dimensionality of the superconductivity in the transition metal pnictide WP

We report theoretical and experimental results on the transition metal pnictide WP. The theoretical outcomes based on tight-binding calculations and density functional theory indicate that WP is a three-dimensional superconductor with an anisotropic electronic structure and nonsymmorphic symmetries. On the other hand, magnetoresistance experimental data and the analysis of superconducting fluctuations of the conductivity in external magnetic field indicate a weakly anisotropic three-dimensional superconducting phase.

cond-mat.supr-con

Double-helix magnetic order in CrAs with Pnma space group

The transition metal pnictide CrAs exhibits superconductivity in the vicinity of a helimagnetic phase, where it has been found that the propagation vector is parallel to the c axis and the magnetic moments lie in the ab plane. Here we use ab initio calculations to study the magnetic interactions in the material. Mapping onto a Heisenberg Hamiltonian, we calculate the magnetic exchanges by using LDA+U calculations and we unveil the origin of the magnetic frustration. Finally, we reproduce the double helix magnetic order with a propagation vector Q = (0, 0, 0.456) and we obtain the magnetic transition temperature TN through Monte-Carlo simulations of the specific heat. Due to the limitations of the use of the Heisenberg Hamiltonian for itinerant magnetic systems, the theoretical TN underestimated the experimental value of the pure CrAs. However, our results are in good agreement with those found for the alloy CrAs0.5Sb0.5 belonging to the same space group, showing that our result can describe this material class.

cond-mat.supr-con

Magnetic instabilities in quasi-one-dimensional Cr-based material

The magnetic response of a K2Cr3As3 sample has been studied by means of dc magnetization measurements as a function of magnetic field (H) at different temperatures ranging from 5 K up to 300 K. Looking at the magnetic hysteresis loops m(H), a diamagnetic behavior of the sample has been inferred at temperatures higher than 60 K, whereas at lower temperatures the sample shows a hysteresis loop compatible with the presence of ferrimagnetism. Moreover, several spike-like magnetization jumps, both positive and negative, have been observed at certain fields in the range -1000 Oe < H < 1000 Oe, regardless of the temperature considered. The field position of the magnetization jumps has been studied at different temperatures, and their distribution can be described by a Lorentzian curve.

cond-mat.supr-con

Tuning interchain ferromagnetic instability in A2Cr3As3 ternary arsenides by chemical pressure and uniaxial strain

We analyze the effects of chemical pressure induced by alkali metal substitution and uniaxial strain on magnetism in the A2Cr3As3 (A = Na, K, Rb, Cs) family of ternary arsenides with quasi-one dimensional structure. Within the framework of the density functional theory, we predict that the non-magnetic phase is very close to a 3D collinear ferrimagnetic state, which realizes in the regime of moderate correlations, such tendency being common to all the members of the family with very small variations due to the different interchain ferromagnetic coupling. We uncover that the stability of such interchain ferromagnetic coupling has a non-monotonic behavior with increasing the cation size, being critically related to the degree of structural distortions which is parametrized by the Cr-As-Cr bonding angles along the chain direction. In particular, we demonstrate that it is boosted in the case of the Rb, in agreement with recent experiments. We also show that uniaxial strain is a viable tool to tune the non-magnetic phase towards an interchain ferromagnetic instability. The modifcation of the shape of the Cr triangles within the unit cell favors the formation of a net magnetization within the chain and of a ferromagnetic coupling among the chains. This study can provide relevant insights about the interplay between superconductivity and magnetism in this class of materials.

cond-mat.str-el

Intra-chain collinear magnetism and inter-chain magnetic phases in Cr3As3-K-based materials

We perform a comparative study of the KCr3As3 and the K2Cr3As3 quasi 1D compounds, and show that the strong interplay between the lattice and the spin degrees of freedom promotes a new collinear ferrimagnetic ground state within the chains in presence of intrachain antiferromagnetic couplings. We propose that the interchain antiferromagnetic coupling in KCr3As3 plays a crucial role for the experimentally observed spin-glass phase with low critical temperature. In the same region of the parameter space, we predict K2Cr3As3 to be non-magnetic but on the verge of the magnetism, sustaining interchain ferromagnetic spin fluctuations while the intrachain spin fluctuations are antiferromagnetic.

cond-mat.str-el

Tuning Crystal Field Potential by Orbital Dilution in $d^4$ Oxides

We investigate the interplay between Coulomb driven orbital order and octahedral distortions in strongly correlated Mott insulators due to orbital dilution, i.e., doping by metal ions without an orbital degree of freedom. In particular, we focus on layered transition metal oxides and study the effective spin-orbital exchange due to $d^3$ substitution at $d^4$ sites. The structure of the $d^3-d^4$ spin-orbital coupling between the impurity and the host in the presence of octahedral rotations favors a distinct type of orbital polarization pointing towards the impurity and outside the impurity--host plane. This yields an effective lattice potential that generally competes with that associated with flat octahedra and, in turn, can drive an inversion of the crystal field interaction.

cond-mat.str-el

Engineering Topological Nodal Line Semimetals in Rashba Spin-Orbit Coupled Atomic Chains

We study an atomic chain in the presence of modulated charge potential and modulated Rashba spin-orbit coupling (RSOC) of equal period. We show that for commensurate periodicities $λ=4 n$ with integer $n$, the three-dimensional synthetic space obtained by sliding the two phases of the charge potential and RSOC features a topological nodal line semimetal protected by an antiunitary particle-hole symmetry. The location and shape of the nodal lines strongly depend on the relative amplitude between the charge potential and RSOC.

cond-mat.mes-hall

Spin-orbit coupling effects on the electronic properties of the pressure-induced superconductor CrAs

We present the effects of spin-orbit coupling on the low-energy bands and Fermi surface of the recently discovered pressure-induced superconductor CrAs. We apply the Löwdin down-folding procedure to a tight-binding hamiltonian that includes the intrinsic spin-orbit interaction, originating from the Cr 3d electrons as well as from As 4p ones. Our results indicate that As contributions have negligible effects, whereas the modifications to the band structure and the Fermi surface can be mainly ascribed to the Cr contribution. We show that the inclusion of the spin-orbit interaction allows for a selective removal of the band degeneracy due to the crystal symmetries, along specific high symmetry lines. Such release of the band degeneracy naturally determines a reconstruction of the Fermi surface, including the possibility of changing the number of pockets.

cond-mat.supr-con