We show that strong enough electric fields can trigger nucleation of needle-shaped metallic embryos in insulators, even when the metal phase is energetically unfavorable without the field. This general phenomenon is due to the gigantic induced dipole moments acquired by the embryos which cause sufficient electrostatic energy gain. Nucleation kinetics are exponentially accelerated by the field-induced suppression of nucleation barriers. Our theory opens the venue of field driven material synthesis. In particular, we briefly discuss synthesis of metallic hydrogen at standard pressure.
The role of orbital ordering on metal-insulator transition of transition-metal oxides is investigated by the cluster self-consistent field approach in the strong correlation regime. A clear dependence of the insulating gap on the orbital order parameter is found in the single-particle excitation spectra. The thermal fluctuation drives the orbital order-disorder transition, diminishes the gap and leads to the metal-insulator transition. The interplay between spins and orbits results in unusual temperature dependence of the orbital polarization in the orbital insulator, which can be seen in the …
A consistent device model to describe current-voltage characteristics of metal/insulator/metal systems is developed. In this model the insulator and the metal electrodes are described within the same theoretical framework by using density of states distributions. This approach leads to differential equations for the electric field which have to be solved in a self consistent manner by considering the continuity of the electric displacement and the electrochemical potential in the complete system. The model is capable of describing the current-voltage characteristics of the metal/insulator/meta…
Based on the conventional energy band theory, an approach is presented to describe the electronic structure of crystalline insulators in the presence of a finite homogeneous electric field. The expression of polarization is derived which extends the ``Berry-phase'' theory of polarization to nonzero fields. The characteristics of the solutions are studied in details and the associations with the existing perturbation theories and computational schemes are discussed.
We investigate the bias-induced insulator-metal transition in organic electronics devices, on the basis of the Su-Schrieffer-Heeger model combined with the non-equilibrium Green's function formalism. The insulator-metal transition is explained with the energy levels crossover that eliminates the Peierls phase and delocalizes the electron states near the threshold voltage. This may account for the experimental observations on the devices that exhibit intrinsic bistable conductance switching with large on-off ratio.
We have succeeded in growing ferromagnetic metals (Co, Fe, and NiFe)/ Al2O3/ AlGaAs heterostructures with homogeneous and flat interfaces. The electro-luminescence (EL) from the light emitting diode (LED) consisting of the metal/insulator/semiconductor (MIS) structure depends on the magnetization direction of the ferromagnetic electrode at room temperature. This fact shows that a spin-injection from the ferromagnetic metal to the semiconductor is achieved. The spin-injection efficiency is estimated to be the order of 1 % at room temperature.
We have shown, both experimentally and theoretically, that the metal-induced gap states (MIGS) can exist in epitaxially grown organic insulator/metal interfaces. The experiment is done for alkane/Cu(001) with an element-selective near edge x-ray absorption fine structure (NEXAFS), which exhibits a pre-peak indicative of MIGS. An {\it ab initio} electronic structure calculation supports the existence of the MIGS. When the Cu substrate is replaced with Ni, an interface magnetism (spin-polarized organic crystal at the interface) is predicted to be possible with a carrier doping.
First-principles calculations of the epitaxial-strain phase diagram of perovskite SrCoO$_{3}$ are presented. Through combination of the large spin-phonon coupling with polarization-strain coupling and coupling of the band gap to the polar distortion, both tensile and compressive epitaxial strain are seen to drive the bulk ferromagnetic-metallic (FM-M) phase to antiferromagnetic-insulating-ferroelectric (AFM-I-FE) phases, the latter having unusually low elastic energy. At these coupled magnetic-ferroelectric metal-insulator phase boundaries, cross responses to applied electric and magnetic fiel…
While graphene is a semi-metal, recently synthesized hydrogenated graphene called graphane, turns out to be an insulator. We have probed the metal insulator Transition in graphene-graphane system within the framework of density functional theory. By analysing the evolutionary trends in the electronic structure for fifteen different hydrogen concentrations on graphene, we unravel some novel features of this transition. As hydrogen coverage increases the semi-metal turns first into a metal, then transforms into an insulator. The metallic phase is spatially inhomogeneous in the sense, it contains…
We investigate properties of doping-induced metal-insulator transition in GaN:Si by means of electron spin resonance and Hall effect. While increasing the doping concentration, Si-related bands are formed below the bottom of the GaN conduction band. The D0 band of single-occupied Si donor sites is centered 27 meV below the bottom of the GaN conduction band, the D- band of double-occupied Si states at 2.7 meV below the bottom of the GaN conduction band. Strong damping of the magnetic moment occurs due to filling of the D- states at Si concentrations approaching the metal-insulator transition. S…
Electrically driven metal-insulator transition in vanadium dioxide (VO2) is of interest in emerging memory devices, neural computation, and high speed electronics. We report on the fabrication of out-of-plane VO2 metal-insulator-metal (MIM) structures and reproducible high-speed switching measurements in these two-terminal devices. We have observed a clear correlation between electrically-driven ON/OFF current ratio and thermally-induced resistance change during metal-insulator transition. It is also found that sharp metal-insulator transition could be triggered by external voltage pulses with…
The problem of screening the Coulomb interaction between charge carriers in type II heterostructures based on transition metal dichalcogenides is Analytically solved. At a sufficiently high density of charge carriers, the density dependence of the interlayer exciton energy is obtained. The energy of the interlayer exciton tends to zero in the metal--insulator transition point. The presented scheme of calculations makes it possible to find the temperature dependence of the density of this transition.
We present a method to analyze the metal-insulator transition (MIT) due to the band overlap mechanism. It is based on a model with the knowledge of the homogeneous electron gas, combined with results based on the quasiparticle self-consistent $GW$ method. Because of the long-range nature of the Coulomb interaction, the MIT occurs as the first-order phase transition, that is, the band gap becomes negative (band overlap) suddenly at some critical lattice constant.
A theory of self-excitation in the metal-insulator-metal structure doped with metal nanowires is developed for the case where the power is provided by an external source of radio waves. Both the transient stage of self-excitation and the steady-state regime of self-oscillation are analyzed in a fully analytical form. The numerical estimates demonstrate that this effect can be used for diverse practical purposes, in particular, for radio frequency power harvesting. These findings extend the approach developed in nano-optics to the field of electrical engineering.
In a semiconductor hererostructure, the Coulomb interaction is responsible for the electric current drag between two 2D electron gases across an electron impenetrable insulator. For two metallic layers separated by a ferromagnetic insulator (FI) layer, the electric current drag can be mediated by a nonequilibrium magnon current of the FI. We determine the drag current by using the semiclassical Boltzmann approach with proper boundary conditions of electrons and magnons at the metal-FI interface.
We investigate LiVS2 and LiVSe2 with a triangular lattice as itinerant analogues of LiVO2, known for the formation of valence bond solid (VBS) state out of S = 1 frustrated magnet. LiVS2, which is located at the border between a metal and a correlated insulator, shows a first ordered transition from a paramagnetic metal to a VBS insulator at Tc ~ 305 K upon cooling. The presence of VBS state in the close vicinity of insulator-metal transition may suggest the importance of itinerancy in the formation of VBS state. We argue that the high temperature metallic phase of LiVS2 has a pseudo-gap, like…
We theoretically propose that magnetic skyrmion, nanometric spin vortex characterized by a quantized topological number, can be electrically created on a thin-film specimen of chiral-lattice magnetic insulator within a few nanoseconds by applying an electric field via an electrode tip taking advantage of coupling between noncollinear skyrmion spins and electric polarizations. This finding will pave a route to utilizing multiferroic skyrmions as information carriers for low-energy-consuming magnetic storage devices without Joule-heating energy losses.
Quantum transport in disordered ferromagnetic (III,Mn)V semiconductors is studied theoretically. Mesoscopic wires exhibit an Anderson disorder-induced metal-insulator transition that can be controlled by a weak external magnetic field. This metal-insulator transition should also occur in other materials with large anisotropic magneto resistance effects. The transition can be useful for studies of zero-temperature quantum critical phase transitions and fundamental material properties.
By treating the electron-ion interaction as perturbation in the first-principles Hamiltonian, we have calculated the density response functions of a fluid alkali metal to find an interesting charge instability due to anomalous electronic density fluctuations occurring at some finite wave vector ${\bi Q}$ in a dilute fluid phase above the liquid-gas critical point. Since $|{\bi Q}|$ is smaller than the diameter of the Fermi surface, this instability necessarily impedes the electric conduction, implying its close relevance to the metal-insulator transition in fluid alkali metals.
Tunable and highly reproducible metal-insulator transitions have been observed in bilayer graphene upon thermal annealing at 400 K under high vacuum conditions. Before annealing, the sample is metallic in the whole temperature regime of study. Upon annealing, the conductivity changes from metallic to that of an insulator and the transition temperature is a function of annealing time. The pristine metallic state can be reinstated by exposing to air thereby inducing changes in the electronic properties by adsorbing water vapor, which makes graphene a technologically promising material for sensor…
We report an experimental study of the time dependence of resistivity of a La$_{0.9}$Sr$_{0.1}$MnO$_{3}$ ultrathin film in order to elucidate the underlying mechanism for metal-insulator transition and colossal magnetoresistance CMR effect. There is a clear change of sign in the resistive relaxation rate across the metal-insulator transition driven by temperature or magnetic field. When measuring in increasing temperature or decreasing magnetic field, the resistivity increases with time in the metallic state but decreases with time in the insulating state. These relaxation processes indicate t…
We derive the Onsager response matrix of fluctuation-mediated spin-collinear transport through a ferromagnetic insulator and normal metal interface driven by a temperature difference, spin accumulation, or magnetic field. We predict magnon-squeezing spin currents, magnetic field-induced cooling (magnon Peltier effect), temperature induced magnetization (thermal magnetic field) as well as universal spin Seebeck/Peltier coefficients.
Metal-insulator transition in Ca_{1-x}Li_xPd_3O_4 has been studied through charge transport measurements. The resistivity, the Seebeck coefficient, and the Hall coefficient are consistently explained in terms of a simple one-band picture, where a hole with a moderately enhanced mass is itinerant three-dimensionally. Contrary to the theoretical prediction [Phys. Rev. B62, 13426 (2000)], CaPd_3O_4 is unlikely to be an excitonic insulator, and holds a finite carrier concentration down to 4.2 K. Thus the metal-insulator transition in this system is basically driven by localization effects.
We present a method for calculating the spectrum of periodic solids within reduced density matrix functional theory. This method is validated by a detailed comparison of the angular momentum projected spectral density with that of well established many-body techniques, in all cases finding an excellent agreement. The physics behind the pressure induced insulator-metal phase transition in MnO is investigated. The driving mechanism of this transition is identified as increased crystal field splitting with pressure, resulting in a charge redistribution between the Mn $e_g$ and $t_2g$ symmetry pro…
We perform density matrix renormalization group (DMRG) calculations extensively on one-dimensional chains with on site (U) as well as nearest neighbour (V) Coulomb repulsions. The calculations are carried out in full parameter space with explicit inclusion of the static bias and we compare the nature of spin density wave (SDW) and charge density wave (CDW) insulators under the influence of external electric field. We find that, although the SDW (U>2V) and CDW (U<2V) insulators enter into a conducting state after a certain threshold bias, CDW insulators require much higher bias than the SDW ins…
Two-dimensional (2D) transition-metal oxide perovskites greatly expand the field of available 2D multifunctional material systems. Here, based on density functional theory calculations, we predicted the presence of ferromagnetism orders accompanying with an insulator-metal phase transition in bilayer $KNbO_{3}$ and $KTaO_{3}$ by applying strain engineering and/or external electric field. Our results will contribute to the applications of few-layer transition metal oxide perovskites in the emerging spintronics and straintronics.
By combining transport and photo emission measurements on (Bi1-xInx)2Se3 thin films, we report that this system transforms from a topologically non-trivial metal into a topologically trivial band insulator through three quantum phase transitions. At x = 3-7%, there is a transition from a topologically non-trivial metal to a trivial metal. At x = 15%, the metal becomes a variable-range-hopping insulator. Finally, above x = 25%, the system becomes a true band insulator with its resistance immeasurably large even at room temperature. This material provides a new venue to investigate topologically…
We investigated the metal-insulator transition for epitaxial thin films of the perovskite CaFeO3, a material with a significant oxygen ligand hole contribution to its electronic structure. We find that biaxial tensile and compressive strain suppress the metal-insulator transition temperature. By combining hard X-ray photoelectron spectroscopy, soft X-ray absorption spectroscopy, and density functional calculations, we resolve the element-specific changes to the electronic structure across the metal-insulator transition. We demonstrate that the Fe electron valence undergoes no observable change…
Metal-ion doping can effectively regulate the metal-insulator transition temperature in $\mathrm{VO}_2$. Experiments found that the pentavalent and hexavalent ion doping dramatically reduces the transition temperature while the trivalent ion doping increases the transition temperature and induces intermediate phases. Based on the phase-field model of the metal-insulator transition in $\mathrm{VO}_2$ we developed previously, we formulate a Landau potential of the metal-ion-doped $\mathrm{VO}_2$ taking account of the effects of doping on the electron correlation and lattice structure. The effect…
We show that metal-insulator transition in Pr0.5Ca0.5Mn1-xCrxO3 (x = 0.015-0.025) is unstable against thermal cycling. Insulator-metal transition shifts down and low temperature resistivity increases each time when the sample is cycled between a starting temperature TS and a final temperature TF. The effect is dramatic lower is x. Insulator-metal transition in x = 0.015 can be completely destroyed by thermal cycling in absence of magnetic field as well as under H = 2 T. Magnetic measurements suggest that ferromagnetic phase fraction decreases with thermal cycling. We suggest that increase in s…
We point out the generic competition between the Hund's coupling and the spin-orbit coupling in correlated materials, and this competition leads to an electronic dilemma between the Hund's metal and the relativistic insulators. Hund's metals refer to the fate of the would-be insulators where the Hund's coupling suppresses the correlation and drives the systems into correlated metals. Relativistic Mott insulators refer to the fate of the would-be metals where the relativistic spin-orbit coupling enhances the correlation and drives the systems into Mott insulators. These contradictory trends are…
Modulation of the charge carrier density in a Mott material by remote doping from a highly doped conventional band insulator is proposed to test theoretical predictions of band filling control of the Mott metal-insulator transition without introducing lattice distortions or disorder, as is the case for chemical doping. The approach is experimentally tested using ultrathin (2.5 nm) NdNiO3 films that are epitaxially grown on La-doped SrTiO3 films. We show that remote doping systematically changes the charge carrier density in the NdNiO3 film and causes a moderate shift in the metal-insulator tra…
We study the influence of external pressure on the electronic and magnetic structure of EuMnO3 from first-principles calculations. We find a pressure-induced insulator-metal transition at which the magnetic order changes from A-type antiferromagnetic to ferromagnetic with a strong interplay with Jahn-Teller distortions. In addition, we find that the non-centrosymmetric E*-type antiferromagnetic order can become nearly degenerate with the ferromagnetic ground state in the high-pressure metallic state. This situation can be exploited to promote a magnetically-driven realization of a non-centrosy…
Results from transport measurements in individual $W_{x}V_{1-x}O_{2}$ nanowires with varying extents of $W$ doping are presented. An abrupt thermally driven metal-insulator transition (MIT) is observed in these wires and the transition temperature decreases with increasing $W$ content at a pronounced rate of - (48-56) K/$at.%W$, suggesting a significant alteration of the phase diagram from the bulk. These nanowires can also be driven through a voltage-driven MIT and the temperature dependence of the insulator to metal and metal to insulator switchings are studied. While driving from an insulat…
The pressure-induced insulator to metal transition (IMT) of layered magnetic nickel phosphorous tri-sulfide NiPS3 was studied in-situ under quasi-uniaxial conditions by means of electrical resistance (R) and X-ray diffraction (XRD) measurements. This sluggish transition is shown to occur at 35 GPa. Transport measurements show no evidence of superconductivity to the lowest measured temperature (~ 2 K). The structure results presented here differ from earlier in-situ work that subjected the sample to a different pressure state, suggesting that in NiPS3 the phase stability fields are highly depen…
Motivated by recent experiments on the finite temperature Mott transition in VO2 films, we propose a classical coarse-grained dielectric breakdown model where each degree of freedom represents a nanograin which transitions from insulator to metal with increasing temperature and voltage at random thresholds due to quenched disorder. We describe the properties of the resulting non-equilibrium metal-insulator transition and explain the universal characteristics of the resistance jump distribution. We predict that by tuning voltage, another critical point is approached, which separates a phase of …
