We extend the study of the Fermi surface instability of the Pomeranchuk type into systems with orbital band structures, which are common features in transition metal oxides. Band hybridization significantly shifts the spectra weight of the Landau interactions from the conventional s-wave channel to unconventional non-s-wave channels, which results in anisotropic (nematic) Fermi surface distortions even with ordinary interactions in solids. The Ginzburg-Landau free energy is constructed by coupling the charge-nematic, spin-nematic and ferromagnetic order parameters together, which shows that nematic electron states can be induced by metamagnetism. The connection between this mechanism to the anisotropic metamagnetc states observed in Sr$_3$Ru$_2$O$_7$ at high magnetic fields is studied in a multi-band Hubbard model with the hybridized quasi-one dimensional $d_{xz}$ and $d_{yz}$-bands.
Activating metamagnetic transitions between ordered states in van der Waals magnets and devices bring great opportunities in spintronics. We show that external pressure, which enhances the interlayer hopping without introducing chemical disorders, triggers multiple metamagnetic transitions upon cooling in the topological van der Waals magnets Mn(Bi$_{1-x}$Sb$_x$)$_4$Te$_7$, where the antiferromagnetic interlayer superexchange coupling competes with the ferromagnetic interlayer coupling mediated by the antisite Mn spins. The temperature-pressure phase diagrams reveal that while the ordering tem…
Quasiparticle interference (QPI) in spectroscopic imaging scanning tunneling microscopy provides a powerful method to detect orbital band structures and orbital ordering patterns in transition metal oxides. We use the $T$-matrix formalism to calculate the QPI spectra for the unconventional metamagnetic system of Sr$_3$Ru$_2$O$_7$ with a $t_{2g}$-orbital band structure. A detailed tight-binding model is constructed accounting for features such as spin-orbit coupling, bilayer splitting, and the staggered rotation of the RuO octahedra. The band parameters are chosen by fitting the calculated Ferm…
We show that the metamagnetic transition in Sr$_4$Ru$_3$O$_{10}$ bifurcates into two transitions as the field is rotated away from the conducting planes. This two-step process comprises partial or total alignment of moments in ferromagnetic bands followed by an itinerant metamagnetic transition whose critical field increases with rotation. Evidence for itinerant metamagnetism is provided by the Shubnikov-de Hass effect which shows a non-trivial evolution of the geometry of the Fermi surface and an enhancement of the quasiparticles effective-mass across the transition. The metamagnetic response…
Heavy fermions represent an archetypal example of strongly correlated electron systems which, due to entanglement among different interactions, often exhibit exotic and fascinating physics involving Kondo screening, magnetism and unconventional superconductivity. Here we report a comprehensive study on the transport and thermodynamic properties of a cerium-based heavy fermion compound CeBi$_2$ which undergoes an anti-ferromagnetic transition at $T_N$ $\sim$ 3.3 K. Its high temperature paramagnetic state is characterized by an enhanced heat capacity with Sommerfeld coefficient $γ$ over 200 mJ/m…
The antiferromagnetic ground state and the metamagnetic transition to the ferromagnetic state of CsCl-ordered FeRh epilayers have been characterized using Hall and magnetoresistance measure- ments. On cooling into the ground state, the metamagnetic transition is found to coincide with a suppression in carrier density of at least an order of magnitude below the typical metallic level shown by the ferromagnetic state. The data reveal that this sub-metallic density of electron-like majority carriers in the antiferromagnetic phase are attributable to intrinsic doping from Fe/Rh substitution defect…
The combination of the local-density approximation (LDA) with the rotationally invariant slave-boson theory (RISB) is used to investigate the realistic correlated electronic structure of Sr$_3$Ru$_2$O$_7$. From Wannier-downfolding the low-energy band structure to a three-band model for the Ru($t_{2g}$) states, the interacting problem is solved including intra- and inter-orbital Hubbard terms as well as spin-flip and pair-hopping interactions. Therewith it is possible to obtain valuable insight into the orbital occupations, relevant local spin multiplets and the fermiology with increasing corre…
Tuning of electronic density-of-states singularities is a common route to unconventional metal physics. Conceptually, van Hove singularities are realized only in clean two-dimensional systems. Little attention has therefore been given to the disordered (dirty) limit. Here, we provide a magnetotransport study of the dirty metamagnetic system calcium-doped strontium ruthenate. Fermi liquid properties persist across the metamagnetic transition, but with an unusually strong variation of the Kadowaki-Woods ratio. This is revealed by a strong decoupling of inelastic electron scattering and electroni…
The magnetic and electronic properties of Ba$_4$Ru$_3$O$_{10}$ were investigated by the ab-initio and model calculations. It is shown that nonmagnetic ground state of the one-third Ru$^{4+}$ ions is not due to the correlation effects. It is rather caused by the charge disproportionation between crystallographically different Ru and the molecular orbital formation in the Ru's trimer.
The pairing mechanism in A$_3$C$_{60}$ is investigated by studying the properties of a three-orbital Hubbard model with antiferromagnetic Hund coupling in the normal and superconducting phase. Local orbital fluctuations are shown to be substantially enhanced in the superconducting state, with a fluctuation energy scale that matches the low-energy peak in the spectral weight of the order parameter. Our results demonstrate that local orbital fluctuations provide the pairing glue in strongly correlated fulleride superconductors and support the spin/orbital freezing theory of unconventional superc…
The notion of a simple ordered state implies homogeneity. If the order is established by a broken symmetry, elementary Landau theory of phase transitions shows that only one symmetry mode describes this state. Precisely at points of phase coexistence domain states formed of large regions of different phases can be stabilized by long range interactions. In uniaxial antiferromagnets the so-called metamagnetism is an example of such a behavior, when an antiferromagnetic and field-induced spin-polarized paramagnetic/ferromagnetic state co-exist at a jump-like transition in the magnetic phase diagr…
The interplay of spin-orbit-coupling and strong electronic correlations is studied for the single-layer and the bilayer compound of the strontium ruthenate Ruddlesden-Popper series by a combination of first-principles band-structure theory with mean-field rotationally invariant slave bosons. At equilibrium strongly renormalized (spin-orbit-split) quasiparticle bands are traced and a thorough description of the low-energy regime for the nearly ferromagnetic bilayer system in accordance with experimental data is presented. The metamagnetic response of Sr$_3$Ru$_2$O$_7$ in finite magnetic field $…
Non-local order parameters in space-time are proposed to characterize the unconventional orbital-selective conducting state in fulleride superconductors, called the Jahn-Teller metal. In previous works, it has been argued that this state can be interpreted as a spontaneous orbital-selective Mott state, in which the electrons in two of the three $t_{1u}$ molecular orbitals are localized, while those in the third one are metallic. Here, based on the realistic band structure for fullerides, we provide a systematic study of nonlocal order parameters and characterize the Jahn-Teller metal, for whic…
Understanding the crystal field splitting and orbital polarization in non-centrosymmetric systems such as ferroelectric materials is fundamentally important. In this study, taking BaTiO$_3$ (BTO) as a representative material we investigate titanium crystal field splitting and orbital polarization in non-centrosymmetric TiO$_6$ octahedra with resonant X-ray linear dichroism at Ti $L_{2,3}$-edge. The high-quality BaTiO$_3$ thin films were deposited on DyScO$_3$ (110) single crystal substrates in a layer-by-layer way by pulsed laser deposition. The reflection high-energy electron diffraction (RHE…
The transition metal dichalcogenide 1T-TaS2 attract growing attention because of the formation of rich density-wave (DW) and superconducting transitions. However, the origin of the incommensurate DW state at the highest temperature (~ 550 K), which is "the parent state" of the rich physical phenomena, is still uncovered. Here, we present a natural explanation for the triple-q incommensurate DW in 1T-TaS2 based on the first-principles Hubbard model with on-site U. We apply the paramagnon interference mechanism that gives the nematic order in Fe-based superconductors. The derived order parameter…
The newly discovered topological crystalline insulators (TCIs) harbor a complex band structure involving multiple Dirac cones. These materials are potentially highly tunable by external electric field, temperature or strain and could find future applications in field-effect transistors, photodetectors, and nano-mechanical systems. Theoretically, it has been predicted that different Dirac cones, offset in energy and momentum-space, might harbor vastly different orbital character, a unique property which if experimentally realized, would present an ideal platform for accomplishing new spintronic…
Electronic flat band systems are a fertile platform to host correlation-induced quantum phenomena such as unconventional superconductivity, magnetism and topological orders. While flat band has been established in geometrically frustrated structures, such as the kagome lattice, flat band-induced correlation effects especially in those multi-orbital bulk systems are rarely seen. Here we report negative magnetoresistance and signature of ferromagnetic fluctuations in a prototypical kagome metal CoSn, which features a flat band in proximity to the Fermi level. We find that the magnetoresistance i…
We discuss a detailed phase diagram and other microscopic characteristics on the applied magnetic field - temperature (H_a-T) plane for a simple model of correlated fluid represented by a two-dimensional (2D) gas of heavy quasiparticles with masses dependent on the spin direction and the effective field generated by the electron correlations. The consecutive transitions between the Bardeen-Cooper-Schrieffer (BCS) and the Fulde-Ferrell-Larkin-Ovchinnikov (FFLO) phases are either continuous or discontinuous, depending on the values of H_a and T. In the latter case, weak metamagnetic transitions …
We study a twisted Hubbard tube modeling the [CrAs] structure of quasi-one-dimensional superconductors A2Cr3As3 (A = K, Rb, Cs). The molecular-orbital bands emerging from the quasi-degenerate atomic orbitals are exactly solved. An effective Hamiltonian is derived for a region where three partially filled bands intersect the Fermi energy. The deduced local interactions among these active bands show a significant reduction compared to the original atomic interactions. The resulting three-channel Luttinger liquid shows various interaction-induced instabilities including two kinds of spin-triplet …
Orbital degrees of freedom of a Cooper pair play an important role in the unconventional superconductivity. To elucidate the orbital effect in the Kondo problem, we investigated a single magnetic impurity coupled to Cooper pairs with a $p_x +i p_y$ ($d_{x^2-y^2}+id_{xy}$) symmetry using the numerical renormalization group method. It is found that the ground state is always a spin doublet. The analytical solution for the strong coupling limit explicitly shows that the orbital dynamics of the Cooper pair generates the spin 1/2 of the ground state.
By constructing an effective model based on recently calculated \emph{ab }initio bare interaction parameters, we study the phase diagram of alkali doped fullerides as a function of temperature and internal pressure. We use a slave-rotor mean-field approach at the weak and intermediate coupling limits and a variational mean-field approach at the strong coupling limit, and find a good agreement with experimental phase diagram. We explain the unified description of the phase diagram including the proximity of s-wave superconducting state and the Mott-insulating state, and the existence of Jahn-Te…
The Mott-insulating distorted perovskite SmTiO$_3$, doped with a single SrO layer in a quantum-well architecture is studied by the combination of density functional theory with dynamical mean-field theory. A rich correlated electronic structure in line with recent experimental investigations is revealed by the given realistic many-body approach to a large-unit-cell oxide heterostructure. Coexistence of conducting and Mott-insulating TiO$_2$ layers prone to magnetic order gives rise to multi-orbital electronic transport beyond standard Fermi-liquid theory. First hints towards a pseudogap openin…
A sufficiently high magnetic field applied to a superconductor will act on both the charge and the spin of the individual electrons breaking up the Cooper pairs. If the spin effect dominates, the superconducting state can develop a texture before eventually entering the normal state with increasing magnetic field. This spatially varying superconducting state is a periodic array of magnetic walls separated by superconducting regions. Known as the Fulde-Ferrell-Larkin-Ovchinnikov (FFLO) phase, it was predicted in 1964. We report heat capacity measurements on the heavy fermion superconductor, CeC…
A new type of Kondo effect peculiar to unconventional superconductors is studied theoretically by using the Wilson's numerical renormalization group method. In this case, an angular momentum of a Cooper pair plays an important role in the Kondo effect. It produces multichannel exchange couplings with a local spin. Here we focus on a $p_x +i p_y$-wave state which is a full gap system. The calculated impurity susceptibility shows that the local spin is almost quenched by the Kondo effect in the strong coupling region ($T_{\rm K}/Δ\to \infty$), while the ground state is always a spin doublet over…
Based on a microscopic theoretical study, we show that novel superconductivity is induced by carrier doping in layered perovskite Ir oxides where a strong spin-orbit coupling causes an effective total angular momentum J_{eff}=1/2 Mott insulator. Using a variational Monte Carlo method, we find an unconventional superconducting state in the ground state phase diagram of a t_{2g} three-orbital Hubbard model on the square lattice. This superconducting state is characterized by a d_{x^2-y^2}-wave "pseudospin singlet" formed by the J_{eff}=1/2 Kramers doublet, which thus contains inter-orbital as we…
Feynman's "no-node" theorem states that the conventional many-body ground-state wavefunctions of bosons in the coordinate representation is positive-definite. This implies that time-reversal symmetry cannot be spontaneously broken. In this article, we review our progress in studying a class of new states of unconventional Bose-Einstein condensations beyond this paradigm. These states can either be the long-lived metal-stable states of ultra-cold bosons in high orbital bands in optical lattices as a result of the "orbital-Hund's rule" interaction, or the ground states of spinful bosons with spi…
The recently discovered cuprate superconductor Ba$_2$CuO$_{3+δ}$ exhibits a high $T_c\simeq73$K at $δ\simeq0.2$. The polycrystal grown under high pressure has a structure similar to La$_2$CuO$_4$, but with dramatically different lattice parameters due to the CuO$_6$ octahedron compression. The crystal field in the compressed Ba$_2$CuO$_4$ leads to an inverted Cu $3d$ $e_g$ complex with the $d_{x^2-y^2}$ orbital sitting below the $d_{3z^2-r^2}$ and an electronic structure highly unusual compared to the conventional cuprates. We construct a two-orbital Hubbard model for the Cu $d^9$ state at hol…
We investigate the impact of impurity scattering on superconductivity in an anisotropic multi-orbital model with spin-orbit coupling which describes the electron fluid at two-dimensional oxide interfaces. As the pairing mechanism is under debate, both conventional and unconventional superconducting states are analyzed. We consider magnetic and nonmagnetic spin-dependent intra- and interorbital scattering and discuss possible microscopic realizations leading to these processes. It is found that, for magnetic disorder, the unconventional superconductor is protected against interband scattering a…
Fermi-liquid versus non-Fermi-liquid/'strange-metal' fits to the electrical resistivity in the quantum critical magnetic regime of an unconventional superconductor
Institute for Materials Research, Tohoku University（东北大学材料研究所）；Institute for Quantum Materials and Technologies, Karlsruhe Institute of Technology（卡尔斯鲁厄理工学院量子材料与技术研究所）；Univ. Grenoble Alpes, CEA, Grenoble INP, IRIG, PHELIQS（格勒诺布尔阿尔卑斯大学，法国原子能和替代能源委员会，格勒诺布尔国立理工学院，IRIG，PHELIQS）
It is known that the Field-Induced Spin-Density-Wave (FISDW) phases are experimentally observed in the quasi-one-dimensional (Q1D) organic conductors with chemical formula (TMTSF)$_2$X (X=PF$_6$, ClO$_4$, etc.) and some others in moderate magnetic fields. From a theoretical point of view, they appear as a result of "one-dimensionalization" of the Q1D electron spectra due to the orbital electron effect in a magnetic field. We predict that the novel FISDW phases with different physical meaning have to appear in inclined high magnetic fields in Q1D conductors as a result of combination of the spi…
Intertwining quantum order and nontrivial topology is at the frontier of condensed matter physics. A charge density wave (CDW) like order with orbital currents has been proposed as a powerful resource for achieving the quantum anomalous Hall effect in topological materials and for the hidden phase in cuprate high-temperature superconductors. However, the experimental realization of such an order is challenging. Here we use high-resolution scanning tunnelling microscopy (STM) to discover an unconventional charge order in a kagome material KV3Sb5, with both a topological band structure and a sup…
Motivated by a growing interest in multi-orbital superconductors with spin-orbit interactions, we perform the group-theoretical classification of various unconventional superconductivity emerging in symmorphic $\rm O$, $\rm D_4$, and $\rm D_6$ space groups. The generalized Cooper pairs, which we here call "multipole" superconductivity, possess spin-orbital coupled (multipole) degrees of freedom, instead of the conventional spin singlet/triplet in single-orbital systems. From the classification, we obtain the following key consequences, which have been overlooked in the long history of research…
The high-temperature superconducting state in cuprates appears if charge carriers are doped into a Mott insulating parent compound. An unresolved puzzle is the unconventional nature of the normal state above the superconducting dome, and its connection to the superconducting instability. At weak hole-doping, a "pseudo-gap" metal state with signatures of time-reversal symmetry breaking is observed, which near optimal doping changes into a "strange metal" with non-Fermi liquid properties. Qualitatively similar phase diagrams are found in multi-orbital systems, such as pnictides, where the unconv…
An anisotropic metallic phase dubbed electronic nematic phase bounded by two consecutive metamagnetic transitions has been reported in the bilayer ruthenate Sr3Ru2O7. It has also been shown that the nematic and the accompanying metamagnetic transitions are driven by an effective momentum-dependent quadrupole-type interaction. Here, we study the microscopic origin of such an effective interaction. To elucidate the mechanism behind the spontaneous Fermi surface distortion associated with the nematic, we identify a simple tight binding model based on t2g orbitals, spin-orbit coupling and the rota…
Spin-orbital liquids are quantum disordered states in systems with entangled spin and orbital degrees of freedom. We study exactly solvable spin-orbital models in two dimensions with selected Heisenberg-, Kitaev-, and $Γ$-type interactions, as well as external magnetic fields. These models realize a variety of spin-orbital-liquid phases featuring dispersing Majorana fermions with Fermi surfaces, nodal Dirac or quadratic band touching points, or full gaps. In particular, we show that Zeeman magnetic fields can stabilize nontrivial flux patterns and induce metamagnetic transitions between states…
The interplay between electronic orders and superconductivity is central to the physics of unconventional superconductors, and is particularly pronounced in the iron-based superconductors. Motivated by recent experiments on FeSe, we study the superconducting pairing in its nematic phase in a multiorbital model with frustrated spin-exchange interactions. The electron correlations in the presence of the nematic order give rise to an enhanced orbital selectivity in the superconducting pairing amplitudes. This orbital-selective pairing produces a large gap anisotropy on the Fermi surface. Our resu…
The normal-state out of which unconventional superconductivity in UTe$_2$ emerges is studied in detail using a variety of thermodynamic and transport probes. Clear evidence for a broad Schottky-like anomaly with roughly R ln 2 entropy around $T^{*} \approx 12$K is observed in all measured quantities. Comparison with high magnetic field transport data allows the construction of an $H\text{-}T$ phase diagram resembling that of the ferromagnetic superconductor URhGe. The low field electronic Grüneisen parameter of $T^{*}$ and that of the metamagnetic transition at $H_m \approx 35$T are comparable…
In an externally applied magnetic field, ultra-pure crystals of the bilayer compound Sr$_3$Ru$_2$O$_7$ undergo a metamagnetic transition below a critical temperature, $T^*$, which varies as a function of the angle between the magnetic field $H$ and the Ru-O planes. Moreover, $T^*$ approaches zero when $H$ is perpendicular to the planes. This putative "metamagnetic quantum critical point", however, is preempted by a nematic fluid phase with order one resistive anisotropy in the {\it ab} plane. In a "realistic" bilayer model with moderate strength local Coulomb interactions, the existence of a s…
Symmetry breaking beyond a global U(1) phase is the key signature of unconventional superconductors. As prototypical strongly correlated materials, heavy-fermion metals provide ideal platforms for realizing unconventional superconductivity. In this article, we review heavy-fermion superconductivity, with a focus on those materials with multiple superconducting phases. In this context, we highlight the role of orbital-selective (matrix) pairing functions, which are defined as matrices in the space of effective orbital degrees of freedom such as electronic orbitals and sublattices as well as equ…
The common wisdom that the phonon mechanism of electron pairing in the weak-coupling Bardeen-Cooper-Schrieffer (BCS) superconductors leads to conventional s-wave Cooper pairs is revised. An inevitable anisotropy of sound velocity in crystals makes the phonon-mediated attraction of electrons non-local in space providing unconventional Cooper pairs with a nonzero orbital momentum in a wide range of electron densities. As a result of this anisotropy quasi-two dimensional charge carriers undergo a quantum phase transition from an unconventional d-wave superconducting state to a conventional s-wave…
Unconventional superconductivity often emerges at the border of long-range magnetic orders. Understanding the low-energy charge dynamics may provide crucial information on the formation of superconductivity. Here we report the unpolarized/polarized optical conductivity study of high quality MnP single crystals at ambient pressure. Our data reveal two types of charge carriers with very different lifetimes. In combination with the first-principles calculations, we show that the short-lifetime carriers have flat Fermi sheets which become gapped in the helimagnetic phase, causing a dramatic change…
We study the temperature dependence of the electrical resistivity of interacting two-dimensional metallic systems. We perform a numerical simulation of the nonequilibrium state based on semiclassical Boltzmann transport theory. Through our simulation, we demonstrate that deviations from the predictions of standard Fermi-liquid theory can arise due to the special scattering geometry of umklapp processes, in special cases even in the ultra-low-temperature limit. Umklapp scattering is required to relax the total momentum of the quasiparticle distribution function. We investigate the transport pro…
We determine the localization threshold in a partially filled and orbitally degenerate model of correlated electrons. Particular emphasis is put on a non-integer band filling, when the system decomposes into the localized and the itinerant subsystems; this situation is described by an effective s-d model. A simultaneous transition to the ferromagnetic state is discussed as driven by the Hund's rule coupling. Dependence of the quasiparticle mass on the spin direction appears naturally in the ferromagnetic phase and is attributed to the electron correlation effects, as is also a metamagnetic tra…
We study Kondo physics of a spin-$\frac{1}{2}$ impurity in electronic matter with strong spin-orbit interaction, which can be realized by depositing magnetic adatoms on the surface of a three-dimensional topological insulator. We show that magnetic properties of topological surface states and the very existence of Kondo screening strongly depend on details of the bulk material, and specifics of surface preparation encoded in time-reversal preserving boundary conditions for electronic wavefunctions. When this tunable Kondo effect occurs, the impurity spin is screened by purely orbital motion of…
We derive general expressions for resonant inelastic x-ray scattering (RIXS) operators for $t_{2g}$ orbital systems, which exhibit a rich array of unconventional magnetism arising from unquenched orbital moments. Within the fast collision approximation, which is valid especially for 4$d$ and 5$d$ transition metal compounds with short core-hole lifetimes, the RIXS operators are expressed in terms of total spin and orbital angular momenta of the constituent ions. We then map these operators onto pseudospins that represent spin-orbit entangled magnetic moments in systems with strong spin-orbit co…
Unconventional symmetry breaking due to nonlocal order parameters has attracted considerable attention in many strongly correlated metals. Famous examples are the nematic order in Fe-based superconductors and the star-of-David charge density order in kagome metals. Such exotic symmetry breaking in metals is a central issue of modern condensed matter physics, while its theoretical foundation is still unclear in comparison with the well-established theory of superconductivity. To overcome this difficulty, here we introduce the "form factor" that generalizes the nonlocal order parameter into the …
The pairing mechanism in different classes of correlated materials, including iron based superconductors, is still under debate. For FeSe monolayers, uniform nematic fluctuations have been shown in a lattice Monte Carlo study to play a potentially important role. Here, using dynamical mean field theory calculations for the same model system, we obtain a similar phase diagram and provide an alternative interpretation of the superconductivity in terms of local orbital fluctuations and phase rigidity. Our study clarifies the relation between the superconducting order parameter, superfluid stiffne…
