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1.
Nat Commun ; 12(1): 6904, 2021 Nov 25.
Artigo em Inglês | MEDLINE | ID: mdl-34824212

RESUMO

Understanding the mechanism of heat transfer in nanoscale devices remains one of the greatest intellectual challenges in the field of thermal dynamics, by far the most relevant under an applicative standpoint. When thermal dynamics is confined to the nanoscale, the characteristic timescales become ultrafast, engendering the failure of the common description of energy propagation and paving the way to unconventional phenomena such as wave-like temperature propagation. Here, we explore layered strongly correlated materials as a platform to identify and control unconventional electronic heat transfer phenomena. We demonstrate that these systems can be tailored to sustain a wide spectrum of electronic heat transport regimes, ranging from ballistic, to hydrodynamic all the way to diffusive. Within the hydrodynamic regime, wave-like temperature oscillations are predicted up to room temperature. The interaction strength can be exploited as a knob to control the dynamics of temperature waves as well as the onset of different thermal transport regimes.

2.
Phys Rev Lett ; 125(17): 177001, 2020 Oct 23.
Artigo em Inglês | MEDLINE | ID: mdl-33156687

RESUMO

Multiorbital systems such as the iron-based superconductors provide a new avenue to attack the long-standing problem of superconductivity in strongly correlated systems. In this work we study the superconductivity driven by a generic bosonic mechanism in a multiorbital model including the full dynamical electronic correlations induced by the Hubbard U and the Hund's coupling. We show that superconductivity survives much more in a Hund's metal than in an ordinary correlated metal with the same degree of correlation. The redistribution of spectral weight characteristic of the Hund's metal reflects also in the enhancement of the orbital-selective character of the superconducting gaps, in agreement with experiments in iron-based superconductors.

3.
Phys Rev Lett ; 125(16): 166402, 2020 Oct 16.
Artigo em Inglês | MEDLINE | ID: mdl-33124875

RESUMO

We clarify the origin of the strikingly different spectroscopic properties of the chemically similar compounds NaOsO_{3} and LiOsO_{3}. Our first-principle, many-body analysis demonstrates that the highly sensitive physics of these two materials is controlled by their proximity to an adjacent Hund's-Mott insulating phase. Although 5d oxides are mildly correlated, we show that the cooperative action of intraorbital repulsion and Hund's exchange becomes the dominant physical mechanism in these materials if their t_{2g} shell is half filled. Small material specific details hence result in an extremely sharp change of the electronic mobility, explaining the surprisingly different properties of the paramagnetic high-temperature phases of the two compounds.

4.
Phys Rev Lett ; 122(18): 186401, 2019 May 10.
Artigo em Inglês | MEDLINE | ID: mdl-31144864

RESUMO

Multiorbital Hubbard models host strongly correlated "Hund's metals" even for interactions much stronger than the bandwidth. We characterize this interaction-resilient metal as a mixed-valence state. In particular, it can be pictured as a bridge between two strongly correlated insulators: a high-spin Mott insulator and a charge-disproportionated insulator which is stabilized by a very large Hund's coupling. This picture is confirmed comparing models with negative and positive Hund's coupling for different fillings. Our results provide a characterization of the Hund's metal state and connect its presence with charge disproportionation, which has indeed been observed in chromates and proposed to play a role in iron-based superconductors.

5.
Nat Mater ; 17(10): 855-856, 2018 10.
Artigo em Inglês | MEDLINE | ID: mdl-30177689

Assuntos
Metais
6.
Sci Adv ; 4(2): eaar1998, 2018 02.
Artigo em Inglês | MEDLINE | ID: mdl-29507885

RESUMO

Many puzzling properties of high-critical temperature (Tc) superconducting (HTSC) copper oxides have deep roots in the nature of the antinodal quasiparticles, the elementary excitations with wave vector parallel to the Cu-O bonds. These electronic states are most affected by the onset of antiferromagnetic correlations and charge instabilities, and they host the maximum of the anisotropic superconducting gap and pseudogap. We use time-resolved extreme-ultraviolet photoemission with proper photon energy (18 eV) and time resolution (50 fs) to disclose the ultrafast dynamics of the antinodal states in a prototypical HTSC cuprate. After photoinducing a nonthermal charge redistribution within the Cu and O orbitals, we reveal a dramatic momentum-space differentiation of the transient electron dynamics. Whereas the nodal quasiparticle distribution is heated up as in a conventional metal, new quasiparticle states transiently emerge at the antinodes, similarly to what is expected for a photoexcited Mott insulator, where the frozen charges can be released by an impulsive excitation. This transient antinodal metallicity is mapped into the dynamics of the O-2p bands, thus directly demonstrating the intertwining between the low- and high-energy scales that is typical of correlated materials. Our results suggest that the correlation-driven freezing of the electrons moving along the Cu-O bonds, analogous to the Mott localization mechanism, constitutes the starting point for any model of high-Tc superconductivity and other exotic phases of HTSC cuprates.

7.
Nano Lett ; 18(3): 2158-2164, 2018 03 14.
Artigo em Inglês | MEDLINE | ID: mdl-29473754

RESUMO

We demonstrate that hexagonal graphene nanoflakes with zigzag edges display quantum interference (QI) patterns analogous to benzene molecular junctions. In contrast with graphene sheets, these nanoflakes also host magnetism. The cooperative effect of QI and magnetism enables spin-dependent quantum interference effects that result in a nearly complete spin polarization of the current and holds a huge potential for spintronic applications. We understand the origin of QI in terms of symmetry arguments, which show the robustness and generality of the effect. This also allows us to devise a concrete protocol for the electrostatic control of the spin polarization of the current by breaking the sublattice symmetry of graphene, by deposition on hexagonal boron nitride, paving the way to switchable spin filters. Such a system benefits from all of the extraordinary conduction properties of graphene, and at the same time, it does not require any external magnetic field to select the spin polarization, as magnetism emerges spontaneously at the edges of the nanoflake.

8.
J Phys Condens Matter ; 29(48): 485002, 2017 12 06.
Artigo em Inglês | MEDLINE | ID: mdl-29120863

RESUMO

We investigate with scanning tunneling microscopy/spectroscopy (STM/STS) and density functional theory (DFT) calculations the surface structures and the electronic properties of Fe1+y Te thin films grown by pulsed laser deposition. Contrary to the regular arrangement of antiferromagnetic nanostripes previously reported on cleaved single-crystal samples, the surface of Fe1+y Te thin films displays a peculiar distribution of spatially inhomogeneous nanostripes. Both STM and DFT calculations show the bias-dependent nature of such features and support the interpretation of spin-polarized tunneling between the FeTe surface and an unintentionally magnetized tip. In addition, the spatial inhomogeneity is interpreted as a purely electronic effect related to changes in hybridization and Fe-Fe bond length driven by local variations in the concentration of excess interstitial Fe cations. Unexpectedly, the surface density of states measured by STS strongly evolves with temperature in close proximity to the antiferromagnetic-paramagnetic first-order transition, and reveals a large pseudogap of 180-250 meV at about 50-65 K. We believe that in this temperature range a phase transition takes place, and the system orders and locks into particular combinations of orbitals and spins because of the interplay between excess interstitial magnetic Fe and strongly correlated d-electrons.

9.
J Phys Condens Matter ; 28(15): 153001, 2016 Apr 20.
Artigo em Inglês | MEDLINE | ID: mdl-26974650

RESUMO

Alkali-doped fullerides (A3C60 with A = K, Rb, Cs) show a surprising phase diagram, in which a high transition-temperature (Tc) s-wave superconducting state emerges next to a Mott insulating phase as a function of the lattice spacing. This is in contrast with the common belief that Mott physics and phonon-driven s-wave superconductivity are incompatible, raising a fundamental question on the mechanism of the high-Tc superconductivity. This article reviews recent ab initio calculations, which have succeeded in reproducing comprehensively the experimental phase diagram with high accuracy and elucidated an unusual cooperation between the electron-phonon coupling and the electron-electron interactions leading to Mott localization to realize an unconventional s-wave superconductivity in the alkali-doped fullerides. A driving force behind the exotic physics is unusual intramolecular interactions, characterized by the coexistence of a strongly repulsive Coulomb interaction and a small effectively negative exchange interaction. This is realized by a subtle energy balance between the coupling with the Jahn-Teller phonons and Hund's coupling within the C60 molecule. The unusual form of the interaction leads to a formation of pairs of up- and down-spin electrons on the molecules, which enables the s-wave pairing. The emergent superconductivity crucially relies on the presence of the Jahn-Teller phonons, but surprisingly benefits from the strong correlations because the correlations suppress the kinetic energy of the electrons and help the formation of the electron pairs, in agreement with previous model calculations. This confirms that the alkali-doped fullerides are a new type of unconventional superconductors, where the unusual synergy between the phonons and Coulomb interactions drives the high-Tc superconductivity.

10.
Sci Adv ; 1(7): e1500568, 2015 Aug.
Artigo em Inglês | MEDLINE | ID: mdl-26601242

RESUMO

Alkali-doped fullerides A 3C60 (A = K, Rb, Cs) are surprising materials where conventional phonon-mediated superconductivity and unconventional Mott physics meet, leading to a remarkable phase diagram as a function of volume per C60 molecule. We address these materials with a state-of-the-art calculation, where we construct a realistic low-energy model from first principles without using a priori information other than the crystal structure and solve it with an accurate many-body theory. Remarkably, our scheme comprehensively reproduces the experimental phase diagram including the low-spin Mott-insulating phase next to the superconducting phase. More remarkably, the critical temperatures T c's calculated from first principles quantitatively reproduce the experimental values. The driving force behind the surprising phase diagram of A 3C60 is a subtle competition between Hund's coupling and Jahn-Teller phonons, which leads to an effectively inverted Hund's coupling. Our results establish that the fullerides are the first members of a novel class of molecular superconductors in which the multiorbital electronic correlations and phonons cooperate to reach high T c s-wave superconductivity.

11.
Phys Rev Lett ; 115(8): 087202, 2015 Aug 21.
Artigo em Inglês | MEDLINE | ID: mdl-26340204

RESUMO

We examine the electronic properties of the newly discovered "ferroelectric metal" LiOsO3 combining density-functional and dynamical mean-field theories. We show that the material is close to a Mott transition and that electronic correlations can be tuned to engineer a Mott multiferroic state in the 1/1 superlattice of LiOsO3 and LiNbO3. We use electronic structure calculations to predict that the (LiOsO3)1/(LiNbO3)1 superlattice exhibits strong coupling between magnetic and ferroelectric degrees of freedom with a ferroelectric polarization of 41.2 µC cm(-2), Curie temperature of 927 K, and Néel temperature of 379 K. Our results support a route towards high-temperature multiferroics, i.e., driving nonmagnetic polar metals into correlated insulating magnetic states.

12.
Phys Rev Lett ; 115(25): 257001, 2015 Dec 18.
Artigo em Inglês | MEDLINE | ID: mdl-26722940

RESUMO

Motivated by recent ultrafast pump-probe experiments on high-temperature superconductors, we discuss the transient dynamics of a d-wave BCS model after a quantum quench of the interaction parameter. We find that the existence of gap nodes, with the associated nodal quasiparticles, introduces a decay channel which makes the dynamics much faster than in the conventional s-wave model. For every value of the quench parameter, the superconducting gap rapidly converges to a stationary value smaller than the one at equilibrium. Using a sudden approximation for the gap dynamics, we find an analytical expression for the reduction of spectral weight close to the nodes, which is in qualitative agreement with recent experiments.

13.
Nat Commun ; 5: 5112, 2014 Oct 07.
Artigo em Inglês | MEDLINE | ID: mdl-25290587

RESUMO

The non-equilibrium approach to correlated electron systems is often based on the paradigm that different degrees of freedom interact on different timescales. In this context, photo-excitation is treated as an impulsive injection of electronic energy that is transferred to other degrees of freedom only at later times. Here, by studying the ultrafast dynamics of quasi-particles in an archetypal strongly correlated charge-transfer insulator (La2CuO(4+δ)), we show that the interaction between electrons and bosons manifests itself directly in the photo-excitation processes of a correlated material. With the aid of a general theoretical framework (Hubbard-Holstein Hamiltonian), we reveal that sub-gap excitation pilots the formation of itinerant quasi-particles, which are suddenly dressed by an ultrafast reaction of the bosonic field.

14.
J Phys Condens Matter ; 26(38): 385301, 2014 Sep 24.
Artigo em Inglês | MEDLINE | ID: mdl-25185708

RESUMO

Using density-functional calculations (DFT) and a tight-binding model, we investigate the origin of distinct favorable geometries which depend on the type of graphyne used. The change in the H geometry is described in terms of the tuning of the hopping between sp(2)-bonded C atoms and sp-bonded C atoms hybridized with the H atoms. We find that the different preferred geometry for each type of graphyne is associated with the electronic effects due to different symmetries rather than a steric effect minimizing the repulsive interaction between the H atoms. The band gaps are significantly tuned as the hopping varies, except in α-graphyne, in agreement with the result of our previous DFT study (Koo J et al 2013 J. Phys. Chem. C 117 11960). Our model can be used to describe the geometry and electronic properties of hydrogenated graphynes.

15.
Phys Rev Lett ; 112(17): 177001, 2014 May 02.
Artigo em Inglês | MEDLINE | ID: mdl-24836267

RESUMO

We show that electron- and hole-doped BaFe(2)As(2) are strongly influenced by a Mott insulator that would be realized for half-filled conduction bands. Experiments show that weakly and strongly correlated conduction electrons coexist in much of the phase diagram, a differentiation which increases with hole doping. This selective Mottness is caused by the Hund's coupling effect of decoupling the charge excitations in different orbitals. Each orbital then behaves as a single-band doped Mott insulator, where the correlation degree mainly depends on how doped is each orbital from half filling. Our scenario reconciles contrasting evidences on the electronic correlation strength, implies a strong asymmetry between hole and electron doping, and establishes a deep connection with the cuprates.

16.
Science ; 339(6118): 425-8, 2013 Jan 25.
Artigo em Inglês | MEDLINE | ID: mdl-23349285

RESUMO

Molecular ferroelectrics are highly desirable for their easy and environmentally friendly processing, light weight, and mechanical flexibility. We found that diisopropylammonium bromide (DIPAB), a molecular crystal processed from aqueous solution, is a ferroelectric with a spontaneous polarization of 23 microcoulombs per square centimeter [close to that of barium titanate (BTO)], high Curie temperature of 426 kelvin (above that of BTO), large dielectric constant, and low dielectric loss. DIPAB exhibits good piezoelectric response and well-defined ferroelectric domains. These attributes make it a molecular alternative to perovskite ferroelectrics and ferroelectric polymers in sensing, actuation, data storage, electro-optics, and molecular or flexible electronics.

17.
Phys Rev Lett ; 109(10): 107601, 2012 Sep 07.
Artigo em Inglês | MEDLINE | ID: mdl-23005326

RESUMO

With a combined ab initio density functional and model Hamiltonian approach we establish that in the recently discovered multiferroic phase of the manganite Sr(1/2)Ba(1/2)MnO3 the polar distortion of Mn and O ions is stabilized via enhanced in-plane Mn-O hybridizations. The magnetic superexchange interaction is very sensitive to the polar bond-bending distortion, and we find that this dependence directly causes a strong magnetoelectric coupling. This novel mechanism for multiferroicity is consistent with the experimentally observed reduced ferroelectric polarization upon the onset of magnetic ordering.

18.
Nat Commun ; 2: 398, 2011 Jul 19.
Artigo em Inglês | MEDLINE | ID: mdl-21772269

RESUMO

In several materials, unconventional superconductivity appears nearby a quantum phase transition where long-range magnetic order vanishes as a function of a control parameter like charge doping, pressure or magnetic field. The nature of the quantum phase transition is of key relevance, because continuous transitions are expected to favour superconductivity, due to strong fluctuations. Discontinuous transitions, on the other hand, are not expected to have a similar role. Here we determine the nature of the magnetic quantum phase transition, which occurs as a function of doping, in the iron-based superconductor LaFeAsO(1-x)F(x). We use constrained density functional calculations that provide ab initio coefficients for a Landau order parameter analysis. The outcome is intriguing, as this material turns out to be remarkably close to a quantum tricritical point, where the transition changes from continuous to discontinuous, and several susceptibilities diverge simultaneously. We discuss the consequences for superconductivity and the phase diagram.


Assuntos
Arsenicais/química , Condutividade Elétrica , Ferro/química , Lantânio/química , Teoria Quântica , Magnetismo , Pressão , Temperatura
19.
Phys Rev Lett ; 102(12): 126401, 2009 Mar 27.
Artigo em Inglês | MEDLINE | ID: mdl-19392299

RESUMO

We outline a general mechanism for orbital-selective Mott transition, the coexistence of both itinerant and localized conduction electrons, and show how it can take place in a wide range of realistic situations, even for bands of identical width and correlation, provided a crystal field splits the energy levels in manifolds with different degeneracies and the exchange coupling is large enough to reduce orbital fluctuations. The mechanism relies on the different kinetic energy in manifolds with different degeneracy. This phase has Curie-Weiss susceptibility and non-Fermi-liquid behavior, which disappear at a critical doping, all of which is reminiscent of the physics of the pnictides.

20.
Phys Rev Lett ; 101(23): 236405, 2008 Dec 05.
Artigo em Inglês | MEDLINE | ID: mdl-19113574

RESUMO

We study a two-component Fermi system with attractive interactions and different populations of the two species in a cubic lattice. For an intermediate coupling, we find a uniformly polarized superfluid which is stable down to very low temperatures. The momentum distribution of this phase closely resembles that of the Sarma phase, characterized by two Fermi surfaces. This phase is shown to be stabilized by a potential energy gain, as in a BCS superfluid, in contrast with the unpolarized Bose-Einstein condensate which is stabilized by kinetic energy. We present general arguments suggesting that preformed pairs in the unpolarized superfluid favor the stabilization of a polarized superfluid phase.

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