It is shown that the translation-invariant bipolaron theory of superconductivity can explain the dependence of the isotope coefficient in high-temperature superconductors on the critical temperature of a superconducting transition: in the case of strong electron-phonon interaction, the isotope coefficient is low when doping is optimal and high when it is weak. It is demonstrated that in the case of London penetration depth, the absolute value of the isotope coefficient behaves in the opposite way. A conclusion of the great role of non-adiabaticity in the case of weak doping is made. The criteria for d-wave phonon input into the isotope effect is established.
A theory of a pseudogap phase of high-temperature superconductors where current carriers are translation invariant bipolarons is developed. A temperature T* of a transition from a pseudogap phase to a normal one is calculated. For the temperature of a transition to the pseudogap phase, the isotope coefficient is found. It is shown that the results obtained, in particular, the possibility of negative values of the isotope coefficient are consistent with the experiment. New experiments on the influence of the magnetic field on the isotope coefficient are proposed.
We show that objections raised by Chakraverty $et$ $al$ (Phys. Rev. Lett. 81, 433 (1998)) to the bipolaron model of superconducting cuprates are the result of an incorrect approximation for the bipolaron energy spectrum and misuse of the bipolaron theory. The consideration, which takes into account the multiband energy structure of bipolarons and the unscreened electron-phonon interaction clearly indicates that cuprates are in the Bose-Einstein condensation regime with mobile charged bosons.
Large-bipolaron superconductivity is plausible with carrier densities well below those of conventional metals. Bipolarons form when carriers self-trap in pairs. Coherently moving large-bipolarons require extremely large ratios of static to optical dielectric-constants. The mutual Coulomb repulsion of a planar large-bipolarons paired carriers drives it to a four-lobed shape. A phonon-mediated attraction among large-bipolarons propels their condensation into a liquid. This liquids excitations move slowly with a huge effective mass. Excitations concomitant weak scattering by phonons produces a mo…
Developing a theory of high-temperature superconductivity in copper oxides is one of the outstanding problems in physics. Twenty-five years after its discovery, no consensus on the microscopic theory has been reached despite tremendous theoretical and experimental efforts. Attempts to understand this problem are hindered by the subtle interplay among a few mechanisms and the presence of several nearly degenerate and competing phases in these systems. Here we provide unified parameter-free explanation of the observed oxygen-isotope effects on the critical temperature, the magnetic-field penetra…
A translation-invariant (TI) bipolaron theory of superconductivity based, like Bardeen-Cooper-Schrieffer theory, on Fröhlich Hamiltonian is presented. Here the role of Cooper pairs belongs to TI bipolarons which are pairs of spatially delocalized electrons whose correlation length of a coupled state is small. The presence of Fermi surface leads to stabilization of such states in its vicinity and a possibility of their Bose-Einstein condensation (BEC). The theory provides a natural explanation of the existence of a pseudogap phase preceding the superconductivity and enables one to estimate the …
We have calculated the tunneling conductance of a superconductor-insulator-superconductor junction based on the polaron-bipolaron theory of superconductivity. The predicted incoherent hump features are in quantitative agreement with tunneling spectra of optimally doped Bi2Sr2CaCu2O8+y and Bi2Sr2Ca2Cu3O10+y. We further show that angle-resolved photoemission spectra of underdoped cuprates are consistent with the Bose-Einstein condensation of inter-site bipolarons and that the superconducting gap symmetry is d-wave, which is determined by the anomalous kinetic process rather than by the pairing i…
The explanation of the nature of superconducting gap in high temperature superconductors (HTSC) is a fundamental task which solution can lead to the understanding of superconducting mechanism. However, it has not been fully solved yet. From the mid of the twentieth century when Bardeen, Cooper and Schrieffer constructed their theory it has been believed that a superconducting gap is a collective phenomenon of electron excitations. In this work it is demonstrated that according to translation-invariant bipolaron theory of HTSC the different types of experiments measure for the gap different val…
Large diameter single-wall boron nanotubes (SWBNT) produced by 2%Mg-mesoporous Al2O3 catalysis show diamagnetic transition at ~ 40 K and ~ 80 K, which is a serious indication for possible superconductivity (J.Phys.Chem.C113, (2009) 17661). Theoretical study which explains or disproves possibility of superconductivity in boron is so far absent, however. Here we apply first-principles formulation of nonadiabatic theory of electron-vibration interactions in study of band structure of boron nanotubes. The ab initio results show that electron-vibration coupling induces in SWBNT with diameter larger…
It is shown that the bipolaron ground state is described by a delocalized wave function. For a two-parameter wave function, the lowest variation estimate of the ground state energy in the strong coupling limit is found to be $E=- 0,414125 α^2$. This is much lower than that derived with the use of the localized bipolaron wave function. The results obtained testify to the possibility of a bipolaron mechanism of high-temperature superconductivity.
A correlation is established between the theories of superconductivity based on the concept of charge density waves (CDW) and the translation invariant (TI) bipolaron theory. It is shown that CDW are originated from TI-bipolaron states in the pseudogap phase due to Kohn anomaly and form a pair density wave (PDW) for wave vectors corresponding to nesting. Emerging in the pseudogap phase, CDW coexist with superconductivity at temperatures below that of superconducting transition while their wave amplitudes decrease as a Bose condensate is formed from TI-bipolarons, vanishing at zero temperature.
Dynamical equations for a polaron and bipolaron in a DNA duplex are obtained on the basis of Holstein-Hubbard Hamiltonian. It is shown that in a PolyA/PolyT duplex especially stable is a bipolaron state in which holes are localized on different chains of the duplex. With the use of the polaron and bipolaron free energy, the temperature of bipolaron decay is found to be T_d \approx 350 K which can serve as an approximate estimate of the superconducting transition temperature. The way of constructing superconducting nanowires on the basis of DNA is suggested.
The intermediate coupling regime in polaronic systems, situated between the adiabatic and the anti-adiabatic limit, is characterized by resonant pairing between quasi-free electrons which is induced by an exchange interaction with localized bipolarons. The onset of this resonant pairing takes place below a characteristic temperature T* and is manifest in the opening of a pseudogap in the density of states of the electrons. The variation of T* is examined here as a function of (i) the typical frequency ω_0 of the local lattice modes, which determines the binding energy of the bipolarons, and (i…
Quantum Monte Carlo Simulation of Bipolaron Superconductivity in Extended Hubbard--Holstein models on Face-Centered-Cubic and Body-Centered-Cubic Lattices
Extending the BCS theory towards the strong electron-phonon interaction (EPI), a charged Bose liquid of small bipolarons has been predicted by us with a further prediction that the highest superconducting critical temperature is found in the crossover region of the EPI strength from the BCS-like to bipolaronic superconductivity. Later on we have shown that the unscreened (infinite-range) Froehlich EPI combined with the strong Coulomb repulsion create \emph{superlight} small bipolarons, which are several orders of magnitude lighter than small bipolarons in the Holstein-Hubbard model (HHM) with …
Electron-lattice interactions play a prominent role in quantum materials, making a deeper understanding of direct routes to phonon-mediated high-transition-temperature ($T_{\mathrm{c}}$) superconductivity desirable. However, it has been known for decades that weak electron-phonon coupling gives rise to low values of $T_{\mathrm{c}}$, while strong electron-phonon coupling leads to lattice instability or formation of bipolarons, generally assumed to be detrimental to superconductivity. Thus, the route to high-$T_{\mathrm{c}}$ materials from phonon-mediated mechanisms has heretofore appeared to b…
Polarons originating from phonon displacement modulated hopping have relatively light masses and, thus, are of significant current interest as candidates for bipolaron mechanism of high-temperature superconductivity [Phys. Rev. Lett. {\bf 121}, 247001 (2018)]. We observe that the bond model, when the dominant coupling comes from atomic vibrations on lattice bonds, can be solved by efficient sign-free Monte Carlo methods based on the path-integral formulation of the particle sector in combination with either the (real-space) diagrammatic or Fock-path-integral representation of the phonon sector…
The electron-phonon (e-ph) interaction remains of great interest in condensed matter physics and plays a vital role in realizing superconductors, charge-density-waves (CDW), and polarons. We study the two-dimensional Holstein model for e-ph coupling using determinant quantum Monte Carlo across a wide range of its phase diagram as a function of temperature, electron density, dimensionless e-ph coupling strength, and the adiabatic ratio of the phonon frequency to the Fermi energy. We describe the behavior of the CDW correlations, the competition between superconducting and CDW orders and polaron…
The BCS theory has been extended by us to the strong-coupling regime where carriers are small lattice polarons and bipolarons. Here I review the multi-polaron strong-coupling theory of superconductivity. Attractive electron correlations, prerequisite to any superconductivity, are caused by an almost unretarded electron-phonon interaction sufficient to overcome the direct Coulomb repulsion in this regime. Low energy physics is that of small polarons and bipolarons, which are itinerant quasiparticles existing in the Bloch states at temperatures below the characteristic phonon frequency. I identi…
We present details of a continuous-time quantum Monte-Carlo algorithm for the screened Hubbard-Froehlich bipolaron. We simulate the bipolaron in one dimension with arbitrary interaction range in the presence of Coulomb repulsion, computing the effective mass, binding energy, total number of phonons associated with the bipolaron, mass isotope exponent and bipolaron radius in a comprehensive survey of the parameter space. We discuss the role of the range of the electron-phonon interaction, demonstrating the evolution from Holstein to Froehlich bipolarons and we compare the properties of bipolaro…
Developing a theory of high-temperature superconductivity in copper oxides is one of the outstanding problems in physics. It is a challenge that has defeated theoretical physicists for more than twenty years. Attempts to understand this problem are hindered by the subtle interplay among a few mechanisms and the presence of several nearly degenerate and competing phases in these systems. Here we present some crucial experiments that place essential constraints on the pairing mechanism of high-temperature superconductivity. The observed unconventional oxygenisotope effects in cuprates have clear…
The planar oxygen isotope effect coefficient measured as a function of hole doping in the Pr- and La-doped YBa2Cu3O7 (YBCO) and the Ni-doped La1.85Sr0.15CuO4 (LSCO) superconductors quantitatively and qualitatively follows the form originally proposed by Kresin and Wolf, which was derived for polarons perpendicular to the superconducting planes. Interestingly, the inverse oxygen isotope effect coefficient at the pseudogap temperature also follows the same formula. These findings allow the conclusion that the superconductivity in YBCO and LSCO results from polarons or rather bipolarons in the Cu…
We report the observation of an exceptionally large room-temperature electrical conductivity in silver and aluminum layers deposited on a lead zirconate titanate (PZT) substrate. The surface resistance of the silver-coated samples also shows a sharp change near 313 K. The results are strongly suggestive of a superconductive interfacial layer, and have been interpreted in the framework of Bose-Einstein condensation of bipolarons as the suggested mechanism for high-temperature superconductivity in cuprates.
We study a lattice bipolaron on a staggered triangular ladder and triangular and hexagonal lattices with both long-range electron-phonon interaction and strong Coulomb repulsion using a novel continuous-time quantum Monte-Carlo (CTQMC) algorithm extended to the Coulomb-Frohlich model with two particles. The algorithm is preceded by an exact integration over phonon degrees of freedom, and as such is extremely efficient. The bipolaron effective mass and bipolaron radius are computed. Lattice bipolarons on such lattices have a novel crablike motion, and are small but very light in a wide range of…
Various mechanisms have been put forward for cuprate superconductivity, which fit largely into two camps: spin-fluctuation and electron-phonon (el-ph) mechanisms. However, in spite of a large effort, electron-phonon interactions are not fully understood away from clearly defined limits. To this end, we use a numerically exact algorithm to simulate the binding of bipolarons. We present the results of a continuous-time quantum Monte-Carlo (CTQMC) algorithm on a tight-binding lattice, for bipolarons with arbitrary interaction range in the presence of strong coulomb repulsion. The algorithm is suf…
There is compelling evidence for a strong electron-phonon interaction (EPI) in cuprate superconductors from the isotope effects on the supercarrier mass, high resolution angle resolved photoemission spectroscopies (ARPES), a number of optical and neutron-scattering measurements in accordance with our prediction of high-temperature superconductivity in polaronic liquids. A number of observations point to the possibility that high-Tc cuprate superconductors may not be conventional Bardeen-Cooper-Schrieffer (BCS) superconductors, but rather derive from the Bose-Einstein condensation (BEC) of real…
Soon after the discovery of the first high temperature superconductor by Georg Bednorz and Alex Mueller in 1986 the late Sir Nevill Mott answering his own question "Is there an explanation?" [Nature v 327 (1987) 185] expressed a view that the Bose-Einstein condensation (BEC) of small bipolarons, predicted by us in 1981, could be the one. Several authors then contemplated BEC of real space tightly bound pairs, but with a purely electronic mechanism of pairing rather than with the electron-phonon interaction (EPI). However, a number of other researchers criticized the bipolaron (or any real-spac…
Over the last decade several competing models of high-temperature superconductivity were proposed, most of them with short-range interactions. We review a more realistic model with strong on-site repulsive correlations, the Coulomb and strong finite-range electron-phonon interactions. Bipolarons in the model exist in the itinerant Bloch states at temperatures below about half of the characteristic phonon frequency. Depending on the ratio of the inter-site Coulomb repulsion and the polaron level shift the ground state of the model is a polaronic Fermi (or Luttinger) liquid, bipolaronic high-Tc …
An analytical method of studying strong long-range electron-phonon and Coulomb interactions in complex lattices is presented. The method is applied to a perovskite layer with anisotropic coupling of holes to the vibrations of apical atoms. Depending on the relative strength of the polaronic shift, Ep, and the inter-site Coulomb repulsion, Vc, the system is either a polaronic Fermi liquid, Vc > 1.23 Ep, a bipolaronic superconductor, 1.16 Ep < Vc < 1.23 Ep, or a charge segregated insulator, Vc < 1.16 Ep. In the superconducting window, the carriers are mobile bipolarons with a remarkably low effe…
Recent angle-resolved photoemission spectroscopy (ARPES) has identified that a finite-range Fröhlich electron-phonon interaction (EPI) with c-axis polarized optical phonons is important in cuprate superconductors, in agreement with an earlier proposal by Alexandrov and Kornilovitch. The estimated unscreened EPI is so strong that it could easily transform doped holes into mobile lattice bipolarons in narrow-band Mott insulators such as cuprates. Applying a continuous-time quantum Monte-Carlo algorithm (CTQMC) we compute the total energy, effective mass, pair radius, number of phonons and isotop…
The recent discovery of superconductivity at ~39 K in MgB2, by Nagamatsu et al. establishes this simple binary compound as having the highest bulk superconducting transition temperature, Tc, of any non-copper-oxide material. Much of the initial research has focused on whether MgB2 is a conventional BCS, electron-phonon mediated superconductor, and, if it is, why Tc is so high. Isotope effect measurements, in which the atom masses are manipulated to systematically change the phonon frequencies, are one of the fundamental experimental tests of electron-phonon mediated superconductivity. One woul…
Materials containing high densities of exceptionally displaceable ions (e.g. perovskites) have extremely large ratios of their static to high-frequency dielectric constants, > 2. Large polarons form in such materials as their electronic charge carriers self-trap by displacing surrounding ions. Large polarons are very heavy-massed slow-moving quasi-particles that are very weakly scattered by ambient phonons. Large-polaron mobilities, e.g. 1 cm2/V-sec at 300 K, are much smaller than the minimum possible for conventional electronic charge carriers. The minimum mobility for an itinerant charge car…
It is widely accepted that phonon-mediated high-temperature superconductivity is impossible at ambient pressure, because of the very large effective masses of polarons/bipolarons at strong electron-phonon coupling. Here we challenge this belief by showing that strongly bound yet very light bipolarons appear for strong Peierls/Su-Schrieffer-Heeger interaction. These bipolarons also exhibit many other unconventional properties, e.g. at strong coupling there are two low-energy bipolaron bands that are stable against strong on-site Hubbard repulsion. Using numerical simulations and analytical argu…
An understanding of high temperature superconductivity clearly requires the nature of its normal state, however the normal state of the cuprates is poorly understood. One possible explanation is the bipolaronic model where mobile, heavily phonon-dressed holes (polarons) are paired in real space. The ground state is made up of intersite singlet bipolarons where excitations can be made to triplet bipolaron and polaron bands. Based on this model I derive the Nernst coefficient and the Thermoelectric power for the cuprates. The Nernst coefficient shows an interesting interference term due to the t…
We use the Density Matrix Renormalization Group method to study a one-dimensional chain with Peierls electron-phonon coupling, which describes the modulation of the electron hopping by lattice distortions. We demonstrate that this system is stable against phase separation in the dilute density limit. We only find phase separation numerically for large couplings for which the linear approximation for the electron-phonon coupling becomes invalid; this behavior can be stabilized in a narrow sliver of the physical parameter space if the dispersion of the phonons is carefully tuned. These results i…
Inspired by the discovery of high temperature superconductivity in potassium-doped $p$-terphenyl, we examine the possibility of superconductivity in $p$-quaterphenyl with one more phenyl ring than $p$-terphenyl. The Meissner effect with critical temperatures ranging from 3.5 K to 120 K is found by the magnetic susceptibility measurements in $p$-quaterphenyl upon doping potassium in the condition of annealing or just pestling. The primary superconducting phase with critical temperature of 7.2 K can be reduplicated in several superconducting samples. In both the annealed and pestled superconduct…
Oxygen-isotope effect has been investigated in a recently discovered superconductor Sr_{0.4}K_{0.6}BiO_{3}. This compound has a distorted perovskite structure and becomes superconducting at about 12 K. Upon replacing ^{16}O with ^{18}O by 60-80%, the T_c of the sample is shifted down by 0.32-0.50 K, corresponding to an isotope exponent of alpha_{O} = 0.40(5). This isotope exponent is very close to that for a similar bismuthate superconductor Ba_{1-x}K_{x}BiO_{3} with T_c = 30 K. The very distinctive doping and T_c dependencies of alpha_{O} observed in bismuthates and cuprates suggest that bism…
Most of the proposed models of high-temperature superconductivity (HTSC) are based on the short-range electron-electron correlations or/and on a short-range electron-phonon interaction. However, in the cuprates the screening is poor due to a low carrier density, layered crystal structure, and high ionicity of the lattice. We develop further the bipolaron model of HTSC, which explicitly takes into account the long-range origin of all interactions. The long-range electron-phonon (Froehlich) interaction binds carriers into real space pairs (small bipolarons) with surprisingly low mass but suffici…
Oxygen isotope (^{16}O/^{18}O) effects (OIE's) on the superconducting transition (T_c), the spin-glass ordering (T_g), and the antiferromagnetic ordering (T_N) temperatures were studied for Y_1-xPr_xBa_2Cu_3O_7-δas a function of Pr content (0.0\leq x \leq 1.0). The OIE on T_c increases with increasing x up to x\approx0.55, where superconductivity disappears. For decreasing x the OIE's on T_N and T_g increase down to x\approx 0.7 where antiferromagnetic order and down to x\approx0.3 where spin-glass behavior vanish, respectively. The OIE's on T_g and T_N are found to have {\it opposite signs} a…
We introduce a generic Froehlich-Coulomb model of the oxides, which also includes infinite on-site (Hubbard) repulsion, and describe a simple analytical method of solving the multi-polaron problem in complex lattice structures. Two particular lattices, a zig-zag ladder and a perovskite layer, are studied. We find that depending on the relative strength of the Froehlich and Coulomb interactions these systems are either polaronic Fermi (or Luttinger)-liquids, bipolaronic superconductors, or charge segregated insulators. In the superconducting phase the carriers are superlight mobile bipolarons. …
We have measured the Ca isotope effect in the newly discovered superconductor CaC6. The isotope effect coefficient is 0.50(7). If one assumes that this material is a conventional electron-phonon coupled superconductor, this result shows that the superconductivity is dominated by coupling of the electrons by Ca phonon modes and that C phonons contribute very little. Thus, in contrast to MgB2, where phonons in the B layers are responsible for the superconductivity, in CaC6 the phonons are primarily modes of the intercalated Ca.
The recent report of superconductivity under high pressure at the record transition temperature of Tc=203K in sulfur hydride has been identified as conventional in view of the observation of an isotope effect upon deuteration. Here it is demonstrated that conventional theories of superconductivity in the sense of BCS or Eliashberg formalisms can neither account for the observed values of Tc nor the pressure dependence of the isotope coefficient. The only way out of the dilemma is a multi-band approach of superconductivity where already small interband coupling suffices to achieve the high valu…
Superconductivity is a fascinating example of how "more is different". It is due to electrons binding into bosonic Cooper pairs, which exhibit coherent behavior across a macroscopic sample. Finding the mechanism responsible for this binding is one of the more difficult tasks of condensed matter physics. For conventional superconductors the solution was given by the BCS theory as being due to exchange of phonons. For the cuprate high-Tc superconductors a widely-accepted explanation is still missing despite intense effort. The recently discovered Fe-based high-Tc superconductors pose now a new c…
We argue that the extension of the BCS theory to the strong-coupling regime describes the high-temperature superconductivity of cuprates and the colossal magnetoresistance (CMR) of ferromagnetic oxides if the phonon dressing of carriers and strong attractive correlations are taken into account. The long-range Froehlich electron-phonon interaction has been identified as the most essential in cuprates providing "superlight" lattice polarons and bipolarons. Here some kinetic, magnetic, and more recent thermomagnetic normal state measurements are interpreted in the framework of the strong-coupling…
Enhanced superconductivity in palladium hydrides by non-perturbative electron-phonon effects
Centro de Física de Materiales (CFM-MPC), CSIC-UPV/EHU（材料物理中心）；Ruđer Bošković Institute（鲁杰尔·博什科维奇研究所）；Università di Modena e Reggio Emilia（摩德纳和雷焦艾米利亚大学）；Istituto Nanoscienze-CNR（国家研究委员会纳米科学研究所）；University of the Basque Country (UPV/EHU)（巴斯克大学）
Superconducting SrTiO_{3-δ} was obtained by annealing single crystalline SrTiO_3 samples in ultra high vacuum. An analysis of the V(I) characteristics revealed very small critical currents I_c which can be traced back to a unavoidable doping inhomogeneity. R(T) curves were measured for a range of magnetic fields B at I<<I_c, thereby probing only the sample regions with the highest doping level. The resulting curves B_{c2}(T) show upward curvature, both at small and strong doping. These results are discussed in the context of bipolaronic and conventional superconductivity with Fermi surface ani…
The London penetration depth plays a key role in determining and uncovering many properties of a superconductor, including homogeneity, anisotropy, isotope effects, importance of quantum and thermal fluctuations, and facets of the nature of superconductivity in a particular material. Guided by the generic phase diagram in the temperature-dopant concentration plane we examine experimental data on the temperature, isotope substitution, inhomogeneity and magnetic field dependence of the penetration depths to uncover some facets of the mystery of superconductivity in the cuprates
It is discussed some problems of normal states of high temperature superconductors (HTS's) with d-wave pairing and next suppositions: 1) at pseudogap temperature it occurs the dimensional crossover from 3D incoherent normal state to quasi 2D system of Cu O2 layers; 2) "naked holes" are bed quasiparticles for system with Janh-Teller and mixed valent Cu ions, strong electron correlations and fluctuations, and inherent strong p-d hybridization of copper and oxygen orbitals; 3) this leads to reducing of "naked holes" to two types of magneto-elastic polarons. It is shown that one of them, ferromagn…
The oxygen isotope effect on the superconductivity, stripe phase and structure transition is systematically investigated in La$_{1.6-x}$Nd$_{0.4}$Sr$_{x}$CuO$_4$ with static stripe phase. Substitution of $^{16}$O by $^{18}$O leads to a decrease in superconducting transition temperature T$_C$, while enhances the temperature of the structural transition from low-temperature-orthorhombic (LTO) phase to low-temperature-tetragonal (LTT) phase. Compared to the Nd free sample, a larger isotope effect on $T_C$ is observed in La$_{1.6-x}$Nd$_{0.4}$Sr$_{x}$CuO$_4$. These results indicate that the distor…
Free energy of a two-liquid system of charge carriers in strongly coupled electron and phonon fields and common nature of three phases in hole-doped cuprates
