We investigate the metal-insulator transition (MIT) and phase diagram of the half-filled Fermi Hubbard model with Rashba-type spin-orbit coupling (SOC) on a square optical lattice. The interplay between the atomic interactions and SOC results in distinctive features of the MIT. Significantly, in addition to the diverse spin ordered phases, a nonmagnetic insulating phase emerges in a considerably large regime of parameters near the Mott transition. This phase has a finite single-particle gap but vanishing magnetization and spin correlation exhibits a power-law scaling, suggesting a potential algebraic spin-liquid ground state. These results are confirmed by the non-perturbative cluster dynamical mean-field theory.
We study phase diagrams of the Hubbard model on anisotropic triangular lattices, which also represents a model for $κ$-type BEDT-TTF compounds. In contrast with mean-field predictions, path-integral renormalization group calculations show a universal presence of nonmagnetic insulator sandwitched by antiferromagnetic insulator and paramagnetic metals. The nonmagnetic phase does not show a simple translational symmetry breakings such as flux phases, implying a genuine Mott insulator. We discuss possible relevance on the nonmagnetic insulating phase found in $κ$-(ET)$_2$Cu$_2(CN)_3$.
The mineral tetrahedrite Cu$_{12}$Sb$_{4}$S$_{13}$ exhibits a first-order metal--insulator transition (MIT) at $T_{\rm MI}$ = 85 K and ambient pressure. We measured the $^{63}$Cu-NMR at ambient pressure and the resistivity and magnetic susceptibility at high pressures. $^{63}$Cu-NMR results indicate a nonmagnetic insulating ground state in this compound. The MIT is monotonically suppressed by pressure and disappears at $\sim1.0$ GPa. Two other anomalies are observed in the resistivity measurements, and the pressure -- temperature phase diagram of Cu$_{12}$Sb$_{4}$S$_{13}$ is constructed.
In $4d/5d$ transition-metal systems, many interesting physical properties arise from the interplay of bandwidth, electronic correlations, and spin-orbit interactions. Here, using {\it ab initio} density functional theory, we systematically study the double-perovskite-like system K$_2$Os$X_6$ (X = F, Cl, and Br) with a $5d^4$ electronic configuration. Our main result is that the $J = 0$ nonmagnetic insulating state develops in this system, induced by strong spin-orbital coupling. Specifically, the well-separated Os$X_6$ octahedra lead to the cubic crystal-field limit and result in dramatically …
First-principles calculations and simulations are conducted to clarify the nonmagnetic insulating ground state of the honeycomb lattice compound Na2RuO3 with 4d^4 electronic configuration and explore the evolutions of crystal structure and electronic property under pressure. We reveal that individual Coulomb correlation or spin-orbit coupling (SOC) effect cannot reproduce the experimentally observed nonmagnetic insulating behavior of Na2RuO3, whereas the Coulomb correlation enhanced SOC interactions give rise to an unusual spin-orbital-entangled J = 0 nonmagnetic insulating state, which contra…
Linear tetramer formation in nonmagnetic pyrochlore niobate
The University of Tokyo（东京大学）；RIKEN Center for Emergent Matter Science (CEMS)（理化学研究所 emergent matter science 中心）；Japan Synchrotron Radiation Research Institute (JASRI)（日本同步辐射研究机构）
We propose a mechanism of the spin Seebeck effect attributed to excitonic condensation in a nonmagnetic insulator. We analyze a half-filled two-orbital Hubbard model with a crystalline field splitting in the strong coupling limit. In this model, the competition between the crystalline field and electron correlations brings about an excitonic insulating state, where the two orbitals are spontaneously hybridized. Using the generalized spin-wave theory and Boltzmann transport equation, we find that a spin current generated by a thermal gradient is observed in the excitonic insulating state withou…
The electronic reconstruction at the interface between two insulating oxides can give rise to a highly-conductive interface. In analogy to this remarkable interface-induced conductivity we show how, additionally, magnetism can be induced at the interface between the otherwise nonmagnetic insulating perovskites SrTiO3 and LaAlO3. A large negative magnetoresistance of the interface is found, together with a logarithmic temperature dependence of the sheet resistance. At low temperatures, the sheet resistance reveals magnetic hysteresis. Magnetic ordering is a key issue in solid-state science and …
A chiral compound FeSi is a nonmagnetic narrow-gap insulator, exhibiting peculiar charge and spin dynamics beyond a simple band-structure picture. Those unusual features have been attracting renewed attention from topological aspects. Although a signature of surface conduction was indicated according to size-dependent resistivity in bulk crystals, its existence and topological properties remain elusive. Here we demonstrate an inherent surface ferromagnetic-metal state of FeSi thin films and its strong spin-orbit-coupling (SOC) properties through multiple characterizations of the two-dimensiona…
Substituting magnetic ions with nonmagnetic ions is a new way to study dilution. Using determinant quantum Monte Carlo calculations, we investigate an interacting Dirac fermion model with the on-site Coulomb repulsion being randomly zero on a fraction $x$ of sites. Based on conductivity, density of states and antiferromagnetic structure factor, our results reveal a novel intermediate insulating phase induced by the competition between dilution and repulsion. With increasing doping level of nonmagnetic ions, this nonmagnetic intermediate phase is found to emerge from the zero-temperature quantu…
$^{13}$C NMR observation of a nonmagnetic charge-ordered state in the organic conductor $κ$-(ET)$_{2}$Hg(SCN)$_{2}$Cl
University of Tokyo（东京大学）；The Institute for Solid State Physics, University of Tokyo（东京大学固体物理研究所）；Institute of Problems of Chemical Physics RAS（俄罗斯科学院化学物理问题研究所）；The Institute for Quantum Matter and the Department of Physics and Astronomy, The Johns Hopkins University（约翰斯·霍普金斯大学量子物质研究所及物理与天文学系）；Max Planck Institute for Solid State Research（马克斯·普朗克固体研究所）；University of Stuttgart（斯图加特大学）；Department of Advanced Materials Science, University of Tokyo（东京大学先进材料科学系）
Inspired by the experimental findings of an exotic ferromagnetic insulating state in LaMnO$_3$/SrTiO$_3$ heterostructures, we calculate the electronic and magnetic state of LaMnO$_3$/SrTiO$_3$ superlattices with comparable thicknesses employing ab-initio dynamical mean-field theory. Projecting on the low-energy subspace of Mn $3d$ and Ti $3d$ states, and solving a multi-impurity problem, our approach emphasizes on local correlations at Mn and Ti sites. We find that a ferromagnetic insulating state emerges due to intrinsic effects of strong correlations in the system, in agreement with experime…
Physical properties of partially Ca substituted hole-doped Dy2Ti2O7 have been investigated by ac magnetic susceptibility χ_ac(T), dc magnetic susceptibility χ(T), isothermal magnetization M(H) and heat capacity C_p(T) measurements on Dy1.8Ca0.2Ti2O7. The spin-ice system Dy2Ti2O7 exhibits a spin-glass type freezing behavior near 16 K. Our frequency dependent χ_ac(T) data of Dy1.8Ca0.2Ti2O7 show that the spin-freezing behavior is significantly influenced by Ca substitution. The effect of partial nonmagnetic Ca2+ substitution for magnetic Dy3+ is similar to the previous study on nonmagnetic isova…
We have investigated the effect of pressure on the electronic, magnetic, and structural properties on a single crystal of conducting, ferromagnet (T$_{C}$=157K) La$_{0.82}$Sr$_{0.18}$CoO$_{3}$ located near the boundary of the metal-insulator transition. Contrary to the results reported on related systems, we find a transition from the conducting state to an insulating state and a decrease of T$_{C}$ with increasing pressure while the lattice structure remains unchanged. We show that this unusual behavior is driven by a gradual change of the spin state of Co$^{3+}$ ions from magnetic intermedia…
The low temperature monoclinic, insulating phase of vanadium dioxide is ordinarily considered nonmagnetic, with dimerized vanadium atoms forming spin singlets, though paramagnetic response is seen at low temperatures. We find a nonlocal spin Seebeck signal in VO2 films that appears below 30 K and which increases with decreasing temperature. The spin Seebeck response has a non-hysteretic dependence on in-plane external magnetic field. This paramagnetic spin Seebeck response is discussed in terms of prior findings on paramagnetic spin Seebeck effects and expected magnetic excitations of the mono…
The variational cluster approximation is used to study the isotropic triangular-lattice Hubbard model at half filling, taking into account the nearest-neighbor ($t_1$) and next-nearest-neighbor ($t_2$) hopping parameters for magnetic frustrations. We determine the ground-state phase diagram of the model. In the strong correlation regime, the 120$^\circ$ Néel and stripe ordered phases appear, and a nonmagnetic insulating phase emerges in between. In the intermediate correlation regime, the nonmagnetic insulating phase expands to a wider parameter region, which goes into a paramagnetic metallic …
Atomic-scale precision control of magnetic interactions facilitates a synthetic spin order useful for spintronics, including advanced memory and quantum logic devices. Conventional modulation of synthetic spin order has been limited to metallic heterostructures that exploit RKKY interaction through a nonmagnetic metallic spacer; however, they face problems arising from Joule heating and/or electric breakdown. The practical realization and observation of a synthetic spin order across a nonmagnetic insulating spacer would lead to the development of spin-related devices with a completely differen…
We investigate ground states of $s$=1/2 Heisenberg antiferromagnets on the eleven two-dimensional (2D) Archimedian lattices by using the coupled cluster method. Magnetic interactions and quantum fluctuations play against each other subtly in 2D quantum magnets and the magnetic ordering is thus sensitive to the features of lattice topology. Archimedean lattices are those lattices that have 2D arrangements of regular polygons and they often build the underlying magnetic lattices of insulating quasi-two-dimensional quantum magnetic materials. Hence they allow a systematic study of the relationshi…
Competition of crystal field splitting and Hund's rule coupling in magnetic metal-insulator transitions of half-filled two-orbital Hubbard model is investigated by multi-orbital slave-boson mean field theory. We show that with the increase of Coulomb correlation, the system firstly transits from a paramagnetic (PM) metal to a {\it Néel} antiferromagnetic (AFM) Mott insulator, or a nonmagnetic orbital insulator, depending on the competition of crystal field splitting and the Hund's rule coupling. The different AFM Mott insulator, PM metal and orbital insulating phase are none, partially and ful…
We report progress in understanding the fermionic Ising spin glass with arbitrary filling. A crossover from a magnetically disordered single band phase via two intermediate bands just below the freezing temperature to a 3-band structure at still lower temperatures - beyond an almost random field instability - is shown to emerge in the magnetic phase. An attempt is made to explain the exact solution in terms of a quantum Parisi phase. A central nonmagnetic band is found and seen to become sharply separated at T=0 by gaps from upper and lower magnetic bands. The gap sizes tend towards zero as th…
We study the spinful fermionic Haldane-Hubbard model at half filling using a combination of quantum cluster methods: cluster perturbation theory (CPT), the variational cluster approximation (VCA), and cluster dynamical mean-field theory (CDMFT). We explore possible zero-temperature phases of the model as a function of on-site repulsive interaction strength and next-nearest-neighbor hopping amplitude and phase. Our approach allows us to access the regime of intermediate interaction strength, where charge fluctuations are significant and effective spin model descriptions may not be justified. Ou…
We demonstrate that quantum coherence can be generated by the interplay of coupling to an incoherent environment and kinetic processes. This joint effect even occurs in a repulsively interacting fermionic system initially prepared in an incoherent Mott insulating state. In this case, coupling a dissipative noise field to the local spin density produces coherent pairs of fermions. The generated pair coherence extends over long distances as typically seen in Bose-Einstein condensates. This conceptually surprising approach provides a novel path towards a better control of quantum many-body correl…
We investigate the necessary conditions for the emergence of complex, noncoplanar magnetic configurations in a Kondo lattice model with classical local moments on the geometrically frustrated Shastry-Sutherland lattice and their evolution in an external magnetic field. We demonstrate that topologically nontrivial spin textures, including a new canted flux state, with nonzero scalar chirality arise dynamically from realistic short-range interactions. Our results establish that a finite Dzyaloshinskii-Moriya (DM) interaction is necessary for the emergence of these novel magnetic states when the …
We study Mott transition in the two-dimensional Hubbard model on an anisotropic triangular lattice. We use the Lanczos exact diagonalization of finite-size clusters up to eighteen sites, and calculate Drude weight, charge gap, double occupancy and spin structure factor. We average these physical quantities over twisted boundary conditions in order to reduce finite-size effects. We find a signature of the Mott transition in the dependence of the Drude weight and/or charge gap on the system size. We also examine the possibility of antiferromagnetic order from the spin structure factor. Combining…
The variational cluster approximation is used to study the frustrated Hubbard model at half filling defined on the two-dimensional square lattice with anisotropic next-nearest-neighbor hopping parameters. We calculate the ground-state phase diagrams of the model in a wide parameter space for a variety of lattice geometries, including square, crossed-square, and triangular lattices. We examine the Mott metal-insulator transition and show that, in the Mott insulating phase, magnetic phases with Néel, collinear, and spiral orders appear in relevant parameter regions, and in an intermediate region…
We investigated microscopic lattice states in the donor-acceptor ionic Mott insulator, TTF-BA, by $^{79}$Br-NQR spectroscopy to explore cross-correlated fluctuations between spin, charge and lattice. A ferroelectric transition with lattice dimerization is captured by a NQR line splitting with the critical exponent $β$ of 0.40, as expected in the 3D Ising universality class, and a peak formation in the spin-lattice relaxation rate $T_1^{-1}$ at the transition temperature, $T_\mathrm{c}$, of 53 K. Notably, $T_1^{-1}$ does not obey the conventional $T^2$ law expected for the Raman process of phon…
The spin-orbit coupling (SOC) interactions, electron correlation effects and Hund coupling cooperate and compete with each other, leading to novel properties, quantum phase and non-trivial topological electronic behavior in iridium oxides. Because of the well separated IrO6 octahedra approaching cubic crystal-field limit, the hexagonal iridates Sr3MIrO6 (M = Sr, Na and Li) serves as a canonical model system to investigate the underlying physical properties that arises from the novel Jeff state. Based on density functional theory calculations complemented by Green's function methods, we systema…
We investigate the effect of hole and electron doping to half-filling in the periodic Anderson model on a triangular lattice by the Hartree-Fock approximation at zero temperature. At half-filling, the system exhibits a partially disordered insulating state, in which a collinear antiferromagnetic order on an unfrustrated honeycomb subnetwork coexists with nonmagnetic state at the remaining sites. We find that the carrier doping destabilizes the partially disordered state, resulting in a phase separation to a doped metallic state with different magnetic order. The partially disordered state is r…
Small-twist-angle transition metal dichalcogenide (TMD) heterobilayers develop isolated flat moiré bands that are approximately described by triangular lattice generalized Hubbard models [PhysRevLett.121.026402]. In this article we explore the metallic and insulating states that appear under different control conditions at a density of one-electron per moiré period, and the transitions between them. By combining fully self-consistent Hartree-Fock theory calculations with strong-coupling expansions around the atomic limit, we identify four different magnetic states and one nonmagnetic state nea…
A comprehensive study of the behavior of the Mott insulator Ca_2RuO_4 under electrical current drive is performed by combining two experimental probes: the macroscopic electrical transport and the microscopic X-Ray diffraction. The resistivity, rho, vs electric current density, J, and temperature, T , rho(J,T), resistivity map is drawn. In particular, the meta-stable state, induced between the insulating and the metallic thermodynamic states by current biasing Ca_2RuO_4 single crystals, is investigated. Such an analysis, combined with the study of the resulting RuO_6 octahedra energy levels, r…
Effects of the spin-orbit coupling (SOC) and magnetic field on excitonic insulating (EI) states are investigated. We introduce the two-orbital Hubbard model with the crystalline field splitting, which is a minimal model for discussing the exciton condensation in strongly correlated electron systems, and analyze its effective Hamiltonian in the strong correlation limit by using the mean-field theory. In the absence of the SOC and magnetic field, the ground state changes from the nonmagnetic band-insulating state to the EI state by increasing the Hund coupling. In an applied magnetic field, the …
Recently, the field of strongly correlated electrons has begun an intense search for a correlation induced topological insulating phase. An example is the quadratic band touching point which arises in a checkerboard lattice at half-filling, and in the presence of interactions gives rise to topological Mott insulators. In this work, we perform a mean-field theory computation to show that such a system shows instability to topological insulating phases even away from half-filling (chemical potential $μ= 0 $). The interaction parameters consist of on-site repulsion ($ U $), nearest-neighbour repu…
Strong electron correlations have long been recognized as driving the emergence of novel phases of matter. A well recognized example is high-temperature superconductivity which cannot be understood in terms of the standard weak-coupling theory. The exotic properties that accompany the formation of the two-channel Kondo effect including the emergence of an unconventional metallic state in the low-energy limit also originate from strong electron interactions. Despite its paradigmatic role for the formation of non-standard metal behavior, the stringent conditions required for its emergence have m…
Non-magnetic insulating phase induced by Jahn-Teller effect in RNiO$_3$
Lawrence Livermore National Laboratory（劳伦斯利弗莫尔国家实验室）；Molecular Foundry, Lawrence Berkeley National Laboratory（分子发现中心，劳伦斯伯克利国家实验室）；Institute for Theoretical Physics, Clausthal University of Technology（理论物理研究所，克劳塔尔工业大学）；Institute for Theoretical Physics, Georg-August-Universität Göttingen（理论物理研究所，哥廷根大学）
SmB6 is a strongly correlated material that has been attributed as a topological insulator and a Kondo insulator. Recent studies have found the topological surface states and low temperature insulating character to be profoundly robust against magnetic and non-magnetic impurities. Here, we use angle resolved photoemission spectroscopy to chart the evolution of topologically-linked electronic structure features versus magnetic doping and temperature in Sm$_{1-x}$M$_x$B$_6$ (M=Eu, Ce). Topological coherence phenomena are observed out to unprecedented ~30% Eu and 50% Ce concentrations that repres…
I critically examine Goodenough's explanation for the experimentally observed phase transition in LiVO$_2$ using microscopic calculations based on density functional and dynamical mean field theories. The high-temperature rhombohedral phase exhibits both magnetic and dynamical instabilities. Allowing a magnetic solution for the rhombohedral structure does not open an insulating gap, and an explicit treatment of the on-site Coulomb $U$ interaction is needed to stabilize an insulating rhombohedral phase. The non-spin-polarized phonon dispersions of the rhombohedral phase show two unstable phonon…
The evolution of a Landau Fermi liquid into a nonmagnetic Mott insulator with increasing electronic interactions is one of the most puzzling quantum phase transitions in physics. The vicinity of the transition is believed to host exotic states of matter such as quantum spin liquids, exciton condensates and unconventional superconductivity. Semiconductor moiré materials realize a highly controllable Hubbard model simulator on a triangular lattice, providing a unique opportunity to drive a metal-insulator transition (MIT) via continuous tuning of the electronic interactions. Here, by electricall…
The emergence of magnetism in otherwise nonmagnetic compounds and its underlying mechanisms have become the subject of intense research. Here we demonstrate that the nonmagnetic oxygen vacancies are responsible for an unconventional magnetic state common for titanate interfaces and surfaces. Using an effective multiorbital modelling, we find that the presence of localized vacancies leads to an interplay of ferromagnetic order in the itinerant t2g band and complex magnetic oscillations in the orbitally-reconstructed eg-band, which can be tuned by gate fields at oxide interfaces. The magnetic ph…
We study a bilayer Kane-Mele-Hubbard model with lattice distortion and inter-layer spin exchange interaction under cylinder geometry. Our analysis based on real-space dynamical mean field theory with continuous-time quantum Monte Carlo demonstrates the emergence of a topological edge Mott insulating (TEMI) state which hosts gapless edge modes only in collective spin excitations. This is confirmed by the numerical calculations at finite temperatures for the spin-Hall conductivity and the single-particle excitation spectrum; the spin Hall conductivity is almost quantized, $σ^{xy}_\mathrm{spin}\s…
We investigate the nature of the Mott-insulating phases of half-filled 2N-component fermionic cold atoms loaded into a one-dimensional optical lattice. By means of conformal field theory techniques and large-scale DMRG calculations, we show that the phase diagram strongly depends on the parity of $N$. First, we single out charged, spin-singlet, degrees of freedom, that carry a pseudo-spin ${\cal S}=N/2$ allowing to formulate a Haldane conjecture: for attractive interactions, we establish the emergence of Haldane insulating phases when $N$ is even, whereas a metallic behavior is found when $N$ …
We report our theoretical results on the emergence of a partially-disordered state at zero temperature and its detailed nature in the periodic Anderson model on a triangular lattice at half filling. The partially-disordered state is characterized by coexistence of a collinear antiferromagnetic order on an unfrustrated honeycomb subnetwork and nonmagnetic state at the remaining sites. This state appears with opening a charge gap between a noncollinear antiferromagnetic metal and Kondo insulator while changing the hybridization and Coulomb repulsion. We also find a characteristic crossover in th…
Frequency shifts and nuclear relaxations of 13C NMR of the metal-insulator alternating material, (Me-3,5-DIP)[Ni(dmit)2]2, are presented. The NMR absorption lines originating from metallic and insulating layers are well resolved, which evidences the coexistence of localized spins (π_loc) and conduction π-electrons. The insulating layer is newly found to undergo antiferromagnetic long range order at about 2.5 K, suggesting emergence of S=1/2 Mott insulator. In the metallic layer, we found significant suppressions of static and dynamical susceptibilities of conduction electrons below 35 K, where…
Unique features of non-magnetic insulator phase are shown, and phase diagram for t-t' Hubbard model on square lattice is presented. Using the path-integral renormalization group method, we find antiferromagnetic phase for small next-nearest neighbor transfer t' and stripe (or collinear) phase for large t' in the Mott insulating region of strong on site interaction U. For intermediate t'/t~ 0.7 at large U/t>7, we find longer-period antiferromagnetic insulator phase with 2*4 structure. In the Mott insulating region, we also find quantum spin liquid (in other words, non-magnetic insulator) phase …
The organic system, $κ$-[(BEDT-TTF)$_{1-x}$(BEDT-STF)$_x$]$_2$Cu$_2$(CN)$_3$, showing the Mott transition between a nonmagnetic Mott insulating (NMI) state and a Fermi liquid (FL), is systematically studied by calorimetric measurements. An increase of the electronic heat capacity at the transition from the NMI state to the FL state which keeps the triangular dimer lattice demonstrates that the charge sector lost in the Mott insulating state is recovered in the FL state. We observed that the remaining low-energy spin excitations in the Mott insulating state show unique temperature dependence, a…
Emergence of metallic monoclinic states of VO$_2$ films induced by K deposition
Institute of Multidisciplinary Research for Advanced Materials (IMRAM), Tohoku University（东北大学先进物质多学科研究研究所）；Photon Factory, Institute of Materials Structure Science, High Energy Accelerator Research Organization (KEK)（高能加速器研究机构材料结构科学研究所光子工厂）
Skyrmions are topologically protected field configurations with particle-like properties that play important roles in various fields of science. Recently, skyrmions have been directly observed in chiral magnets. Here, we investigate the effects of nonmagnetic impurities (structural point-like defects) on the different initial states (random or helical states) and on the formation of the skyrmion crystal in a discrete lattice. By using first-principle calculations and Monte Carlo techniques, we have shown that even a small percentage of spin vacancies present in the chiral magnetic thin film af…
Correlated electrons often crystalize to the Mott insulator usually with some magnetic orders, whereas the "quantum spin liquid" has been a long-sought issue. We report numerical evidences that a nonmagnetic insulating (NMI) phase gets stabilized near the Mott transition with remarkable properties: The 2D Mott insulators on geometrically frustrated lattices contain a phase with gapless spin excitations and degeneracy of the ground state in the whole Brillouin zone of the total momentum. It has an interpretation for an unexplored type of a quantum liquid. The present concept is useful in analyz…
Insulator-to-metal transition in Ca$_{2}$RuO$_{4}$ has drawn keen attention because of its sensitivity to various stimulation and its potential controllability. Here, we report a direct observation of Fermi surface, which emerges upon introducing excess oxygen into an insulating Ca$_{2}$RuO$_{4}$, by using angle-resolved photoemission spectroscopy. Comparison between energy distribution curves shows that the Mott insulating gap is closed by eV-scale spectral-weight transfer with excess oxygen. Momentum-space mapping exhibits two square-shaped sheets of the Fermi surface. One is a hole-like $α$…
We report electron spin resonance (ESR) spectroscopy results on the double perovskite Ba$_2$YIrO$_6$. On general grounds, this material is expected to be nonmagnetic due to the strong coupling of the spin and orbital momenta of Ir$^{5+}$ (5$d^4$) ions. However, controversial experimental reports on either strong antiferromagnetism with static order at low temperatures or just a weakly paramagnetic behavior have triggered a discussion on the breakdown of the generally accepted scenario of the strongly spin-orbit coupled ground states in the 5$d^4$ iridates and the emergence of a novel exotic ma…
We study an exchange coupled system of itinerant electrons and localized fermion pairs resulting in a resonant pairing formation. This system inherently contains resonating fermion pairs on bonds which lead to a superconducting phase provided that long range phase coherence between their constituents can be established. The prerequisite is that the resonating fermion pairs can become itinerant. This is rendered possible through the emergence of two kinds of bond-fermions: individual and composite fermions made of one individual electron attached to a bound pair on a bond. If the strength of th…
A pseudo honeycomb system Li2RuO3 exhibits a second-order-like transition at temperature T=Tc=540 K to a low-T nonmagnetic phase with a significant lattice distortion forming Ru-Ru pairs. For this system, we have calculated the band structure, using the generalized gradient approximation (GGA) in both the high- and low- T phases, and found that the results of the calculation can naturally explain the insulating behavior observed in the low-T phase. The detailed characters of the Ru 4d t2g bands obtained by the tight-binding fit to the calculated dispersion curves show clear evidence that the s…
Motivated by the unveiled complexity of nonmagnetic insulating behavior in pentavalent post-perovskite NaIrO$_3$, we have studied its electronic structure and phase diagram in the plane of Coulomb repulsive interaction and spin-orbit coupling (SOC) by using the newly developed local density approximation plus Gutzwiller method. Our theoretical study proposes the metal-insulator transition can be generated by two different physical pictures: renormalized band insulator or Mott insulator regime. For the realistic material parameters in NaIrO$_3$, Coulomb interaction $U=2.0 (J=U/4)$ eV and SOC st…
The possible emergence of a spin liquid phase in the half-filled Hubbard model on the honeycomb lattice; a simple model of graphene, is studied using the variational cluster approximation. We found that the critical interaction strength of a magnetic transition is slightly lower than that of the non-magnetic metal-to-insulator transition. Thus a semi-metallic state becomes a magnetic insulator as the interaction strength increases and a non-magnetic insulating state does not occur. Therefore a spin liquid state characterized by an insulating state without long range order, is not realized in t…
Combination of low-dimensionality and electron correlation is vital for exotic quantum phenomena such as the Mott-insulating phase and high-temperature superconductivity. Transition-metal dichalcogenide (TMD) 1T-TaS2 has evoked great interest owing to its unique nonmagnetic Mott-insulator nature coupled with a charge-density-wave (CDW). To functionalize such a complex phase, it is essential to enhance the CDW-Mott transition temperature TCDW-Mott, whereas this was difficult for bulk TMDs with TCDW-Mott < 200 K. Here we report a strong-coupling 2D CDW-Mott phase with a transition temperature on…
