arXiv subjects

Qimiao Si

Publications and source records attributed to Qimiao Si.

At least 181 records · Page 10Linked to original sources

arXiv2013

Kondo Destruction and Quantum Criticality in Kondo Lattice Systems

Considerable efforts have been made in recent years to theoretically understand quantum phase transitions in Kondo lattice systems. A particular focus is on Kondo destruction, which leads to quantum criticality that goes beyond the Landau framework of order-parameter fluctuations. This unconventional quantum criticality has provided an understanding of the unusual dynamical scaling observed experimentally. It has also predicted a sudden jump of the Fermi surface and an extra (Kondo destruction) energy scale, both of which have been verified by systematic experiments. Considerations of Kondo destruction have in addition yielded a global phase diagram, which has motivated the current interest in heavy fermion materials with variable dimensionality or geometrical frustration. Here we summarize these developments, and discuss some of the ongoing work and open issues. We also consider the implications of these results for superconductivity. Finaly, we address the effect of spin-orbit coupling on the global phase diagram, suggest that SmB6 under pressure may display unconventional superconductivity in the transition regime between a Kondo insulator phase and an antiferroamgnetic metal phase, and argue that the interfaces of heavy-fermion heterostructures will provide a fertile setting to explore topological properties of both Kondo insulators and heavy-fermion superconductors.

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arXiv2013

Superconductivity at the Border of Electron Localization and Itinerancy

The superconducting state of iron pnictides and chalcogenides exists at the border of antiferromagnetic order. Consequently, these materials could provide clues about the relationship between magnetism and unconventional superconductivity. One explanation, motivated by the so-called bad-metal behaviour of these materials, proposes that magnetism and superconductivity develop out of quasi-localized magnetic moments which are generated by strong electron-electron correlations. Another suggests that these phenomena are the result of weakly interacting electron states that lie on nested Fermi surfaces. Here we address the issue by comparing the newly discovered alkaline iron selenide superconductors, which exhibit no Fermi-surface nesting, to their iron pnictide counterparts. We show that the strong-coupling approach leads to similar pairing amplitudes in these materials, despite their different Fermi surfaces. We also find that the pairing amplitudes are largest at the boundary between electronic localization and itinerancy, suggesting that new superconductors might be found in materials with similar characteristics.

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arXiv2013

Double neutron spin resonances and gap anisotropy in underdoped superconducting NaFe0.985Co0.015As

We use inelastic neutron scattering to show that superconductivity in electron-underdoped NaFe0.985Co0.015As induces a dispersive sharp resonance near Er1 = 3:25 meV and a broad dis- persionless mode at Er2 = 6 meV. However, similar measurements on overdoped superconducting NaFe0:955Co0:045As find only a single sharp resonance at Er = 7 meV. We connect these results with the observations of angle-resolved photoemission spectroscopy that the superconducting gaps in the electron Fermi pockets are anisotropic in the underdoped material but become isotropic in the overdoped case. Our analysis indicates that both the double neutron spin resonances and gap anisotropy originate from the orbital dependence of the superconducting pairing in the iron pnic- tides. Our discovery also shows the importance of the inelastic neutron scattering in detecting the multiorbital superconducting gap structures of iron pnictides.

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arXiv2013

Evidence for a Kondo destroying quantum critical point in YbRh2Si2

The heavy-fermion metal YbRh$_{2}$Si$_{2}$ is a weak antiferromagnet below $T_{N} = 0.07$ K. Application of a low magnetic field $B_{c} = 0.06$ T ($\perp c$) is sufficient to continuously suppress the antiferromagnetic (AF) order. Below $T \approx 10$ K, the Sommerfeld coefficient of the electronic specific heat $γ(T)$ exhibits a logarithmic divergence. At $T < 0.3$ K, $γ(T) \sim T^{-ε}$ ($ε: 0.3 - 0.4$), while the electrical resistivity $ρ(T) = ρ_{0} + aT$ ($ρ_{0}$: residual resistivity). Upon extrapolating finite-$T$ data of transport and thermodynamic quantities to $T = 0$, one observes (i) a vanishing of the "Fermi surface crossover" scale $T^{*}(B)$, (ii) an abrupt jump of the initial Hall coefficient $R_{H}(B)$ and (iii) a violation of the Wiedemann Franz law at $B = B_{c}$, the field-induced quantum critical point (QCP). These observations are interpreted as evidence of a critical destruction of the heavy quasiparticles, i.e., propagating Kondo singlets, at the QCP of this material.

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arXiv2013

Strongly Correlated Materials

Strongly correlated materials are profoundly affected by the repulsive electron-electron interaction. This stands in contrast to many commonly used materials such as silicon and aluminum, whose properties are comparatively unaffected by the Coulomb repulsion. Correlated materials often have remarkable properties and transitions between distinct, competing phases with dramatically different electronic and magnetic orders. These rich phenomena are fascinating from the basic science perspective and offer possibilities for technological applications. This article looks at these materials through the lens of research performed at Rice University. Topics examined include: Quantum phase transitions and quantum criticality in "heavy fermion" materials and the iron pnictide high temperature superconductors; computational ab initio methods to examine strongly correlated materials and their interface with analytical theory techniques; layered dichalcogenides as example correlated materials with rich phases (charge density waves, superconductivity, hard ferromagnetism) that may be tuned by composition, pressure, and magnetic field; and nanostructure methods applied to the correlated oxides VO2 and Fe3O4, where metal-insulator transitions can be manipulated by doping at the nanoscale or driving the system out of equilibrium. We conclude with a discussion of the exciting prospects for this class of materials.

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arXiv2013

Topological defects of Néel order and Kondo singlet formation for Kondo-Heisenberg model on a honeycomb lattice

Heavy fermion systems represent a prototypical setting to study magnetic quantum phase transitions. A particular focus has been on the physics of Kondo destruction, which captures quantum criticality beyond the Landau framework of order-parameter fluctuations. In this context, we study the spin one-half Kondo-Heisenberg model on a honeycomb lattice at half filling. The problem is approached from the Kondo destroyed, antiferromagnetically ordered insulating phase. We describe the local moments in terms of a coarse grained quantum non-linear sigma model, and show that the skyrmion defects of the antiferromagnetic order parameter host a number of competing order parameters. In addition to the spin Peierls, charge and current density wave order parameters, we identify for the first time Kondo singlets as the competing orders of the antiferromagnetism. We show that the antiferromagnetism and various competing singlet orders can be related to each other via generalized chiral transformations of the underlying fermions. We also show that the conduction electrons acquire a Berry phase through their coupling to the hedgehog configurations of the Néel order, which cancels the Berry phase of the local moments. Our results demonstrate the competition between the Kondo-singlet formation and spin-Peierls order when the antiferromagnetic order is suppressed, thereby shedding new light on the global phase diagram of heavy fermion systems at zero temperature.

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arXiv2013

Competing topological and Kondo insulator phases on a honeycomb lattice

We investigate the competition between the spin-orbit interaction of itinerant electrons and their Kondo coupling with local moments densely distributed on the honeycomb lattice. We find that the model at half-filling displays a quantum phase transition between topological and Kondo insulators at a nonzero Kondo coupling. In the Kondo-screened case, tuning the electron concentration can lead to a new topological insulator phase. The results suggest that the heavy-fermion phase diagram contains a new regime with a competition among topological, Kondo-coherent and magnetic states, and that the regime may be especially relevant to Kondo lattice systems with $5d$-conduction electrons. Finally, we discuss the implications of our results in the context of the recent experiments on SmB$_6$ implicating the surface states of a topological insulator, as well as the existing experiments on the phase transitions in SmB$_6$ under pressure and in CeNiSn under chemical pressure.

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arXiv2013

Quantum critical Kondo destruction in the Bose-Fermi Kondo model with a local transverse field

Recent studies of the global phase diagram of quantum-critical heavy-fermion metals prompt consideration of the interplay between the Kondo interactions and quantum fluctuations of the local moments alone. Toward this goal, we study a Bose-Fermi Kondo model (BFKM) with Ising anisotropy in the presence of a local transverse field that generates quantum fluctuations in the local-moment sector. We apply the numerical renormalization-group method to the case of a sub-Ohmic bosonic bath exponent and a constant conduction-electron density of states. Starting in the Kondo phase at zero transverse-field, there is a smooth crossover with increasing transverse field from a fully screened to a fully polarized impurity spin. By contrast, if the system starts in its localized phase, then increasing the transverse field causes a continuous, Kondo-destruction transition into the partially polarized Kondo phase. The critical exponents at this quantum phase transition exhibit hyperscaling and take essentially the same values as those of the BFKM in zero transverse field. The many-body spectrum at criticality varies continuously with the bare transverse field, indicating a line of critical points. We discuss implications of these results for the global phase diagram of the Kondo lattice model.

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arXiv2013

Avoided quantum criticality and magnetoelastic coupling in BaFe$_{2-x}$Ni$_{x}$As$_{2}$

We study the structural and magnetic orders in electron-doped BaFe2-xNixAs2 by high-resolution synchrotron X-ray and neutron scatterings. Upon Ni-doping x, the nearly simultaneous tetragonal-to-orthorhombic structural T_s and antiferromagnetic (T_N) phase transitions in BaFe2As2 are gradually suppressed and separated, resulting in T_s>T_N with increasing x as was previously observed. However, the temperature separation between T_s and T_N decreases with increasing x for x> 0.065$, tending towards a quantum bi-critical point near optimal superconductivity at x=0.1. The zero-temperature transition is preempted by the formation of a secondary incommensurate magnetic phase in the region 0.088< x < 0.104, resulting in a finite value of T_N \approx T_c+10$ K above the superconducting dome around $x\approx 0.1$. Our results imply an avoided quantum critical point, which is expected to strongly influence the properties of both the normal and superconducting states.

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arXiv2013

Orbital-selective superconductivity, gap anisotropy and spin resonance excitations in a multiorbital t-J1-J2 model for iron pnictides

We study the orbital-dependent superconducting pairing in a five-orbital t-J1-J2 model for iron pnictides. Depending on the orbital selectivity of electron correlations and the orbital characters along the Fermi surface, the superconducting gap in an A_{1g} pairing state may exhibit anisotropy. This anisotropy varies with the degree of J1-J2 magnetic frustration. We have also calculated the dynamical spin susceptibility in the superconducting state. The frequency dependence of the susceptibility at the antiferromagnetic wavevector (π,0) shows a resonance, whose width is enhanced by the orbital dependence of the superconducting gap; when the latter is sufficiently strong, the resonance peak may be split into two. We discuss the implications of our results on the recent angle-resolved photoemission and neutron-scattering measurements in several superconducting iron pnictides.

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arXiv2013

Orbital-dependent effects of electron correlations in microscopic models for iron-based superconductors

The bad metal behavior in the normal state of the iron-based superconductors suggests an intimate connection between the superconductivity and a proximity to a Mott transition. At the same time, there is strong evidence for the multi-orbital nature of the electronic excitations. It is then important to understand the orbital-dependent effects of electron correlations. In this paper we review the recent theoretical progresses on the metal-to-insulator transition in multiorbital models for the iron-based superconductors. These include studies of models that contain at least the 3d xy and 3d xz/yz models, using a slave-spin technique. For commensurate filling corresponding to that of the parent iron pnictides and chalcogenideds, a Mott transition generally exists in all these models. Near the Mott transition, a strongly correlated metal exhibiting bad metal features and strong orbital selectivity is stabilized due to the interplay of Hund's coupling and orbital-degeneracy breaking. Particularly for the alkaline iron selenides, the ordered vacancies effectively reduce the kinetic energy, thereby pushing the system further into the Mott-insulating regime; in the metallic state, there exists an orbital-selective Mott phase in which the iron 3d xy orbital is Mott localized while the other 3d orbitals are still itinerant. An overall phase diagram for the alkaline iron selenides has been proposed, in which the orbital-selective Mott phase connects between the superconducting phase and the Mott-insulating parent state.

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arXiv2013

Quantum phase transitions in heavy fermion metals and Kondo insulators

Strongly correlated electron systems at the border of magnetism are of active current interest, particularly because the accompanying quantum criticality provides a route towards both strange-metal non-Fermi liquid behavior and unconventional superconductivity. Among the many important questions is whether the magnetism acts simply as a source of fluctuations in the textbook Landau framework, or instead serves as a proxy for some unexpected new physics. We put into this general context the recent developments on quantum phase transitions in antiferromagnetic heavy fermion metals. Among these are the extensive recent theoretical and experimental studies on the physics of Kondo destruction in a class of beyond-Landau quantum critical points. Also discussed are the theoretical basis for a global phase diagram of antiferromagnetic heavy fermion metals, and the recent surge of materials suitable for studying this phase diagram. Furthermore, we address the generalization of this global phase diagram to the case of Kondo insulators, and consider the future prospect to study the interplay among Kondo coherence, magnetism and topological states. Finally, we touch upon related issues beyond the antiferromagnetic settings, arising in mixed valent, ferromagnetic, quadrupolar, or spin glass f-electron systems, as well as some general issues on emergent phases near quantum critical points.

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arXiv2013

Local quantum criticality out of equilibrium - effective temperatures and scaling in the steady state regime

We study the out of equilibrium steady state properties of the Bose-Fermi-Kondo model, describing a local magnetic moment coupled to two ferromagnetic leads that support bosonic (magnons) and fermionic (Stoner continuum electrons) low energy excitations. This model describes the destruction of the Kondo effect as the coupling to the bosons is increased. Its phase diagram comprises three non-trivial fixed points. Using a dynamical large-$N$approach on the Keldysh contour, we study two different non-equilibrium setups: (a) a finite bias voltage and (b) a finite temperature gradient, imposed across the leads. The scaling behavior of the charge and energy currents is identified and characterized for all fixed points. We report the existence of a fixed-point-dependent effective temperature, defined though the fluctuation dissipation relations of the local spin-susceptibility in the scaling regime, which permits to recover the equilibrium behavior of both dynamical and static spin susceptibilities.

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arXiv2013

Field-induced long-range magnetic order in the spin-singlet ground state system YbAl3C3: Neutron diffraction study

The $4f$-electron system YbAl$_3$C$_3$ with a non-magnetic spin-dimer ground state has been studied by neutron diffraction in an applied magnetic field. A long-range magnetic order involving both ferromagnetic and antiferromagnetic components has been revealed above the critical field H$_C\sim $ 6T at temperature T=0.05K. The magnetic structure indicates that the geometrical frustration of the prototype hexagonal lattice is not fully relieved in the low-temperature orthorhombic phase. The suppression of magnetic ordering by the remanent frustration is the key factor stabilizing the non-magnetic singlet ground state in zero field. Temperature dependent measurements in the applied field H=12T revealed that the long-range ordering persists up to temperatures significantly higher than the spin gap indicating that this phase is not directly related to the singlet-triplet excitation. Combining our neutron diffraction results with the previously published phase diagram, we support the existence of an intermediate disordered phase as the first excitation from the non-magnetic singlet ground state. Based on our results, we propose YbAl$_3$C$_3$ as a new material for studying the quantum phase transitions of heavy-fermion metals under the influence of geometrical frustration.

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arXiv2012

Electron Correlation and Spin Dynamics in Iron Pnictides and Chalcogenides

Superconductivity in the iron pnictides and chalcogenides is closely connected to a bad-metal normal state and a nearby antiferromagnetic order. Therefore, considerable attention has been focused on the role of electron correlations and spin dynamics. In this article, we summarize some key experiments that quite directly imply strong electron correlations in these materials, and discuss aspects of the recent theoretical studies on these issues. In particular, we outline a $w$-expansion, which treats the correlation effects using the Mott transition as the reference point. For the parent systems, it gives rise to an effective J1-J2 model that is coupled to the itinerant electrons in the vicinity of the Fermi energy; this model yields an isoelectronically-tuned quantum critical point, and allows a study of the distribution of the spin spectral weight in the energy and momentum space in the paramagnetic phase. Within the same framework, we demonstrate the Mott insulating phase in the iron oxychalcogenides as well as the alkaline iron selenides; for the latter system, we also consider the role of an orbital-selective Mott phase. Finally, we discuss the singlet superconducting pairing driven by the short-range J1-J2 interactions. Our considerations highlight the iron pnictides and chalcogenides as exemplifying strongly-correlated electron systems at the boundary of electronic localization and itinerancy.

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arXiv2012

Orbital-selective Mott Phase in Multiorbital Models for Alkaline Iron Selenides K(1-x)Fe(2-y)Se2

We study a multiorbital model for the alkaline iron selenides K(1-x)Fe(2-y)Se2 using a slave-spin method. With or without ordered vacancies, we identify a metal-to-Mott-insulator transition at the commensurate filling of six 3d electrons per iron ion. For Hund's couplings beyond a threshold value, this occurs via an intermediate orbital-selective Mott phase, in which the 3d xy orbital is Mott localized while the other 3d orbitals remain itinerant. This phase is still stabilized over a range of carrier dopings. Our results lead to an overall phase diagram for the alkaline iron selenides, which provides a unified framework to understand the interplay between the strength of vacancy order and carrier doping. In this phase diagram, the orbital-selective Mott phase provides a natural link between the superconducting K(1-x)Fe(2-y)Se2 and its Mott-insulating parent compound.

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arXiv2012

Observation of Temperature-Induced Crossover to an Orbital-Selective Mott Phase in A$_{x}$Fe$_{2-y}$Se$_2$ (A=K, Rb) Superconductors

In this work, we study the A$_{x}$Fe$_{2-y}$Se$_2$ (A=K, Rb) superconductors using angle-resolved photoemission spectroscopy. In the low temperature state, we observe an orbital-dependent renormalization for the bands near the Fermi level in which the dxy bands are heavily renormliazed compared to the dxz/dyz bands. Upon increasing temperature to above 150K, the system evolves into a state in which the dxy bands have diminished spectral weight while the dxz/dyz bands remain metallic. Combined with theoretical calculations, our observations can be consistently understood as a temperature induced crossover from a metallic state at low temperature to an orbital-selective Mott phase (OSMP) at high temperatures. Furthermore, the fact that the superconducting state of A$_{x}$Fe$_{2-y}$Se$_2$ is near the boundary of such an OSMP constraints the system to have sufficiently strong on-site Coulomb interactions and Hund's coupling, and hence highlight the non-trivial role of electron correlation in this family of iron superconductors.

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arXiv2012

Spin Dynamics of a J1-J2-K Model for the Paramagnetic Phase of Iron Pnictides

We study the finite-temperature spin dynamics of the paramagnetic phase of iron pnictides within an antiferromagnetic J_1-J_2 Heisenberg model on a square lattice with a biquadratic coupling $-K (S_i \cdot S_j)^2$ between the nearest-neighbor spins. Our focus is on the paramagnetic phase in the parameter regime of this J_1-J_2-K model where the ground state is a (π,0) collinear antiferromagnet. We treat the biquadratic interaction via a Hubbard-Stratonovich decomposition, and study the resulting effective quadratic-coupling model using both modified spin wave and Schwinger boson mean-field theories; the results for the spin dynamics derived from the two methods are very similar. We show that the spectral weight of dynamical structure factor S(q,ω) is peaked at ellipses in the momentum space at low excitation energies. With increasing energy, the elliptic features expand towards the zone boundary, and gradually split into two parts, forming a pattern around (π,π). Finally, the spectral weight is anisotropic, being larger along the major axis of the ellipse than along its minor axis. These characteristics of the dynamical structure factor are consistent with the recent measurements of the inelastic neutron scattering spectra on BaFe_2As_2 and SrFe_2As_2.

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