A resonating valence bond RVB approach is taken to demonstrate formation of real-space Cooper pairs and High-TC superconductivity HTS. Non-adiabatic coupling between holes aggregates (super-atoms) and undoped anti-ferromagnet cause virtual excitations in either system due to inter-system coupling. HTS is said to reflect cooperative co-existence of two Bose-Einstein condensates in terms of one real-space Cooper pair condensate, and a second magnon condensate, which form at the same critical temperature. TC is formulated in terms of the super-exchange interaction. Connection is made to an equivalent real-space BCS formulation of HTS. Novel perspectives on the HTS in the electron-doped Sr1-xLaxCuO2 and Nd2-xCexCuO4 emerge.
Properties of oxides are interpreted as a result of existence of the virtual sublattices formed by the atomic quantum states. An infinite cluster with the superconductivity of the Bose-Einstein condensate kind can be formed in the ground state sublattice at certain oxigen atoms concentration in the effectively diluted system of metal atoms (above the percolation threshold). Then the electron pairs concentration n/2 can be much less than the metal atoms concentration N in the oxide. The similar situation takes place in metals with superconductivity of the BCS type. Above the percolation thresho…
Although their crystal structures are complex, all high temperature superconductors contain some crystal planes consisting of only Cu and O atoms in a square lattice. Superconductivity is believed to originate from strongly interacting electrons in these CuO2 planes. Substitution of a single impurity atom at a Cu site creates a simple but powerful perturbation to these interactions. Detailed knowledge of the effects of such an impurity atom on the superconducting order parameter and on the quasi-particle local density of states (LDOS) could allow competing theories of high temperature supercon…
We investigate the role of specific phonon mode symmetries for the room temperature superconductivity in atomic hydrogen under large pressure. Using anisotropic Migdal-Eliashberg theory with ab initio input from density functional theory, we show that the $E_u$ phonon modes are the dominant driving force for obtaining such high critical temperatures. When going from 400 to 600 GPa, we find an increased transition temperature, however, the total electron-phonon coupling strength is counterintuitively reduced. Our analysis reveals that this is due to an enhanced contribution to the coupling stre…
Starting from first principles, we show the formation and evolution of superconducting gaps in MgB$_2$ at its ultrathin limit. Atomically thin MgB$_2$ is distinctly different from bulk MgB$_2$ in that surface states become comparable in electronic density to the bulk-like $σ$- and $π$-bands. Combining the ab initio electron-phonon coupling with the anisotropic Eliashberg equations, we show that monolayer MgB$_2$ develops three distinct superconducting gaps, on completely separate parts of the Fermi surface due to the emergent surface contribution. These gaps hybridize nontrivially with every e…
The YBa2Cu3O8-x and NaxWO3 superconductors are treated not as an ionic compounds but rather as an arrays of atoms featuring both covalent and metallic bonding. We accept as particle radii the positions of the principal maxima in the radial distribution functions of the charge density, which are very close to the known covalent and metallic radii of atoms while differing strongly from the traditional ionic radii. The graphic pattern of atomic packing in the lattices reveals a number of features inherent in nonstoichiometric compounds. The network of atoms Y and Ba in medium Cu-O and of atoms Na…
A universal mechanism of superconductivity applicable to ``low temperature'' and ``high temperature'' superconductors is proposed in this paper. With this model of mechanism experimental facts of superconductors can be qualitatively explained. A function is introduced to describe the average separation distance between vibrating lattice atoms, which is crucial for the transition from normal to superconductive state. However, the most attractive and exciting conclusion that can be derived from this physical picture, is that given atoms of other element be successfully sandwiched between ferroma…
In iron-based superconductors, a unique tri-layer Fe-As (Se, Te, P) plays an essential role in controlling the electronic properties, especially the Cooper pairing interaction. Here we use scanning tunneling microscopy/spectroscopy (STM/S) to investigate the role of arsenic atom in superconducting Ba0.4K0.6Fe2As2 by directly breaking and restoring the Fe-As structure at atomic scale. After the up-As-layer peeled away, the tunneling spectrum of the exposed iron surface reveals a shallow incoherent gap, indicating a severe suppression of superconductivity without arsenic covering. When a pair of…
Maximizing the sustainable supercurrent density, Jc, is crucial to high current applications of superconductivity and, to achieve this, preventing dissipative motion of quantized vortices is key. Irradiation of superconductors with high-energy heavy ions can be used to create nanoscale defects that act as deep pinning potentials for vortices. This approach holds unique promise for high current applications of iron-based superconductors because Jc amplification persists to much higher radiation doses than in cuprate superconductors without significantly altering the superconducting critical tem…
We have recently achieved superconductivity in undoped T'-RE2CuO4 (RE: Pr, Nd, Sm, Eu, and Gd), using epitaxial thin films by metal organic decomposition. The key recipes to achieve superconductivity are low-PO2 firing and subsequent vacuum reduction to minimize the amount of impurity oxygen atoms, which are very harmful to high-Tc superconductivity. In this article, we report our investigation on the reduction dependence of superconductivity of T'-RE2CuO4. For thin films, the amount of remnant Oap atoms is difficult to evaluate but we propose that one good measure for this may be the c-axis l…
Doping bismuth selenide (Bi2Se3) with elements such as copper and strontium (Sr) can induce superconductivity, making the doped materials interesting candidates to explore potential topological superconducting behaviors. It was thought that the superconductivity of doped Bi2Se3 was induced by dopant atoms intercalated in van der Waals gaps. However, several experiments have shown that the intercalation of dopant atoms may not necessarily make doped Bi2Se3 superconducting. Thus, the structural origin of superconductivity in doped Bi2Se3 remains an open question. Herein, we combined material syn…
Superconductivity in the recently proposed ground-state structures of atomic metallic hydrogen is investigated over the pressure range 500 GPa to 3.5 TPa. Near molecular dissociation, the electron--phonon coupling $λ$ and renormalized Coulomb repulsion are similar to the molecular phase. A continuous increase in the critical temperature $T_c$ with pressure is therefore expected, to $\jmmapprox 356$K near 500 GPa. As the atomic phase stabilizes with increasing pressure, $λ$ increases, causing $T_c$ to approach $\jmmapprox 481$K near 700 GPa. At the first atomic--atomic structural phase transfor…
Recently BCS superconductivity at 203 K has been discovery in a highly compressed hydrogen sulfide. We use first-principles calculations to systematically examine the effects of partially substituting the chalcogen atoms on the superconductivity of hydrogen chalcogenides under high pressures. We find detailed trends of how the critical temperature changes with increasing the V-, VI- or VII-substitution rate, which highlight the key roles played by low atomic mass and by strong covalent metallicity. In particular, a possible record high critical temperature of 280 K is predicted in a stable H3S…
In conventional superconductors, magnetic interactions and magnetic impurity atoms are destructive to superconductivity. By contrast, in some unconventional systems, e.g. superfluid 3He and superconducting UGe2, superconductivity or superfluidity is actually mediated by magnetic interactions. A magnetic mechanism has also been proposed for high temperature superconductivity (HTSC) in which an electron magnetically polarizes its environment resulting in an attractive pairing-interaction for oppositely polarized spins. Since a magnetic impurity atom would apparently not disrupt such a pairing-in…
Using a new two-step synthesis method - ultrasound treatment and low temperature annealing, we explore superconductivity in potassium-doped triphenylbismuth, which is composed of one bismuth atom and three phenyl rings. The combination of dc and ac magnetic measurements reveals that one hundred percent of synthesized samples exhibit superconductivity at 3.5 K and/or 7.2 K at ambient pressure. The magnetization hysteresis loops provide a strong evidence of type-II superconductor, with the upper critical magnetic field up to 1.0 Tesla. Both calculated electronic structure and measured Raman spec…
The defining characteristic of hole-doped cuprates is $d$-wave high temperature superconductivity. However, intense theoretical interest is now focused on whether a pair density wave state (PDW) could coexist with cuprate superconductivity (D. F. Agterberg et al., Annual Review of Condensed Matter Physics 11, 231 (2020)). Here, we use a strong-coupling mean-field theory of cuprates, to model the atomic-scale electronic structure of an eight-unit-cell periodic, $d$-symmetry form factor, pair density wave (PDW) state coexisting with $d$-wave superconductivity (DSC). From this PDW+DSC model, the …
A simple model of the molecular crystal of $N$ atoms as a statistical mixture in real space of $NX$ atoms in excited and $N(1-X)$ atoms in well localized ground state is considered. The phase coherence of the atomic wave functions is suppose to be absent. A bond energy of crystal is supposed to be a result of the pair interaction of $NX$ excited atoms. These molecular type pair excitations do not interact one with another before the metallization, and do not contribute to the pressure. Nevertheless, the pressure of such kind of crystals is determined by the interatomic distances, and by the bi…
We propose a theory of strong spin-lattice and spin-phonon coupling in iron pnictides and discuss its implications on superconductivity. Strong magneto-volume effect in iron compounds has long been known as the Invar effect. Fe pnictides also exhibit this effect, reflected in particular to the atomic volume of Fe defined by the nearest neighbor atoms. Through the phenomenological Landau theory, developed on the basis of the calculations by the density functional theory (DFT) and the experimental results, we quantify the strength of the spin-lattice interaction as it relates to the Stoner crite…
The theory of hole superconductivity proposes that superconductivity originates in the fundamental electron-hole asymmetry of condensed matter and that it is an 'undressing' transition. Here we propose that a natural consequence of this theory is that superconductors behave as giant atoms. The model predicts that the charge distribution in superconductors is inhomogeneous, with higher concentration of negative charge near the surface. Some of this negative charge will spill out, giving rise to a negative electron layer right outside the surface of the superconductor, which should be experiment…
We observed bulk superconductivity in the FeTe1-xSex crystals with a low Se concentration after the excess Fe atoms existing unavoidably in crystals as-grown are partially removed by means of annealing in the air. A revised magnetism and superconductivity phase diagram is obtained via resistivity and magnetic susceptibility measurements for FeTe1-xSex system. It is found that bulk superconductivity coexists with antiferromagnetic order in the crystals with 0.05<x<0.20. The phase diagram is very similar to the case of the K-doping or Co-doping BaFe2As2, as well as of SmFeAsO1-xFx iron-pnictide …
Boron-based clathrate materials, typically with three-dimensional networks of B atoms, have tunable properties through substitution of guest atoms, but the tuning of B cages themselves has not yet been developed. By combining crystal structural search with the laser-heated diamond anvil cell technique, we successfully synthesized a new B-based clathrate boride, LaB8, at ~108 GPa and ~2100 K. The novel structure has a B-richest cage, with 26 B atoms encapsulating a single La atom. LaB8 demonstrates phonon-mediated superconductivity with an estimated transition temperature of 14 K at ambient pre…
Over the past six years, superconductivity at high temperatures has been reported in a variety of hydrogen-rich compounds under high pressure. That high-temperature superconductivity should exist in these materials is expected according to the conventional theory of superconductivity, as shown by detailed calculations. However here we argue that experimental observations rule out conventional superconductivity in these materials. Our results indicate that either these materials are unconventional superconductors of a novel kind, which we term `nonstandard superconductors', or alternatively tha…
We studied the effect of magnetic doping with Gd atoms on the superconducting properties of amorphous Mo70Ge30 films. We observed that in uniform films deposited on amorphous Ge, the pair-breaking strength per impurity strongly decreases with film thickness initially and saturates at a finite value in films with thickness below the spin-orbit scattering length. The variation is likely caused by surface induced magnetic anisotropy and is consistent with the fermionic mechanism of superconductivity suppression. In thin films deposited on SiN the pair-breaking strength becomes zero. Possible reas…
Many theoretical models of high temperature superconductivity focus only on the doping dependence of the CuO2 plane electronic structure. But such models are manifestly insufficient to explain the strong variations in superconducting critical temperature Tc among cuprates which have identical hole-density but are crystallographically different outside the CuO2 plane. A key challenge, therefore, has been to identify a predominant out-of-plane influence controlling the superconductivity - with much attention focusing on the distance $d_A$ between the apical oxygen and the planar copper atom. Her…
The electronic structures of zig-zag and arm-chair single-walled carbon nanotubes interacting with a transitional-metal atomic nanowire of Ni have been determined. The Ni nanowire creates a large electron density of states (DOS)at the Fermi energy. The dependence of the enhanced DOS on the spin state and positioning of the transition-metal wire(inside or outside the nanotube) is studied. Preliminary estimates of the electron-phonon interaction suggest that such systems may have a superconducting transition temperature of $\sim$ 10-50 K. The signs of superconductivity seen in ``ropes'' of nanot…
Pressurized hydrogen-rich compounds, which could be viewed as precompressed metallic hydrogen, exhibit high superconductivity, thereby providing a viable route toward the discovery of high-temperature superconductors. Of particular interest is to search for high-temperature superconductors with low stable pressure in terms of pressure-stabilized hydrides. In this work, with the aim of obtaining high-temperature superconducting compounds at low pressure, we attempt to study the doping effects for high-temperature superconductive $ \mathrm{H_3S} $ with supercells up to 64 atoms using first princ…
We report the observation of a superconducting state below 8K coexistent with a spin-glass state caused by atomic disorder in Ce substituted Ca3Rh4Sn13. Measurements of specific heat, resistivity, and magnetism reveal the existence of inhomogeneous superconductivity in samples doped with Ce with superconducting critical temperatures Tc higher than those observed in the parent compound. For Ca3Rh4Sn13, the negative value of the change in resistivity with pressure P, correlates well with the calculated decrease in the density of states at the Fermi energy with P. Based on band structure calculat…
Ternary silicides MI(MII0.5, Si0.5)2 (MI=Sr and Ba, MII=Al and Ga) were prepared by Ar arc melting. Powder X-ray diffraction indicates that they have the AlB2-type structure, in which Si and MII atoms are arranged in honeycomb layers and MI atoms are intercalated between them. Electrical resistivity and dc magnetization measurements revealed that Sr(Al0.5, Si0.5)2 is superconductive, with a critical temperature for superconductivity (TC) of 4.2 K, while Ba(Al0.5, Si0.5)2 is not at temperatures ranging above 2.0 K. Sr(Ga0.5, Si0.5)2 and Ba(Ga0.5, Si0.5)2 are also superconductors, with TCs of 5.…
The BCS theory of superconductivity is extended to recognize pairing of electrons by both normal and umklapp scattering. Application of the variational approach shows that coexistence of normal and umklapp scattering frustrates superconductivity.
The theory of hole superconductivity proposes that there is a single mechanism of superconductivity that applies to all superconducting materials. This paper discusses several material families where superconductivity occurs and how they can be understood within this theory. Materials discussed include the elements, transition metal alloys, high $T_c$ cuprates both hole-doped and electron-doped, $MgB_2$, iron pnictides, doped semiconductors, and elements under high pressure.
Recent investigations have shown that Fe$_{1+y}$Te$_{1-x}$Se$_{x}$ can be made superconducting by annealing it in Se and O vapors. The current lore is that these chalcogen vapors induce superconductivity by removing the magnetic excess Fe atoms. To investigate this phenomenon we performed a combination of magnetic susceptibility, specific heat and transport measurements together with scanning tunneling microscopy and spectroscopy and density functional theory calculations on Fe$_{1+y}$Te$_{1-x}$Se$_{x}$ treated with Te vapor. We conclude that the main role of the Te vapor is to quench the magn…
The paper considers the possibility of superconductivity setting in when the distance a_B between molecules (atoms) is such that a_F < a_B < a_W, where a_F and a_W are the equilibrium separations in Fermi metals and van der Waals insulators. The last has no band sructure. This is the binding energy region 40--60 kJ/mol. However, neither stretch of metals ("dilution" by insulators) nor compression of insulators to a=a_B produce substances stable under normal conditions. It was proposed to stabilize such substances prepared of insulators by adsorbing their atoms (molecules) on metal catalysts to…
Recent developments in the search for topological superconductivity have brought lattices of magnetic adatoms on a superconductor into intense focus. In this work we will study ferromagnetic chains of adatoms on superconducting surfaces with Rashba spin-orbit coupling. Generalising the deep-impurity approach employed extensively in previous works to arbitrary subgap energies, we formulate the theory of the subgap spectrum as a nonlinear matrix eigenvalue problem. We obtain an essentially analytical description of the subgap spectrum, allowing an efficient study of the topological properties. E…
Inspired by the recent experimental observation of topological superconductivity in ferromagnetic chains, we consider a dilute 2D lattice of magnetic atoms deposited on top of a superconducting surface with a Rashba spin-orbit coupling. We show that the studied system supports a generalization of $p_x+ip_y$ superconductivity and that its topological phase diagram contains Chern numbers higher than $ξ/a$ $(\gg1)$, where $ξ$ is the superconducting coherence length and $a$ is the distance between the magnetic atoms. The signatures of nontrivial topology can be observed by STM spectroscopy in fini…
We suggest possibility of Dicke superradiance in superconductors. The necessary 2-level atoms are identified with Anderson pseudo spins in k-space, seeing a k-dependent self consistent mean field. A way to couple these 2-level bose atoms to a macroscopically excited coherent boson mode and create a novel nonequilibrium superradiant superconductivity (SRSC) is suggested. Our coherence transfer mechanism offers a hope to realize transient superconductivity, even at room temperatures, in the pseudo gap phase of certain underdoped cuprates. Recent experiments are briefly discussed in the light of …
The metal-metal bond in metal-rich chalcogenide is known to exhibit various structures and dominate interesting physical properties. Ta2Se can be obtained by both arc-melting and solid-state pellet methods. Ta2Se crystallizes a layered tetragonal structure with space group P4/nmm (S.G.129, Pearson symbol tP6). Each unit cell consists of four layers of body-centered closed packing Ta atoms sandwiched between two square nets of Se atoms, forming the Se-Ta-Ta-Ta-Ta-Se networks. A combined result of magnetic susceptibility, resistivity, and heat capacity measurements on Ta2Se indicate the bulk sup…
The electron and phonon spectra, as well as the density of electron and phonon states of the stable orthorhombic structure of hydrogen sulfide (SH2) at pressures 100-180 GPa have been calculated. It is found that the set of parallel planes of hydrogen atoms is formed at pressure ~175 GPa as a result of structural changes in the unit cell of the crystal under pressure. There should be complete concentration of hydrogen atoms in these planes. As a result the electron properties of the system acquire a quasi-two-dimensional character. The features of in phase and antiphase oscillations of hydroge…
A recent experimental work on palladium hydrides suggested that metastable structures with hydrogen atoms occupying tetrahedral sites could lead to superconductivity above 50 K, a huge increase compared to the 10 K critical temperature of the stable structure with all hydrogen atoms occupying octahedral sites. By generating many structures with hydrogen atoms randomly occupying the octahedral and tetrahedral sites of the face-centered cubic lattice and calculating their energy at different theoretical levels from first principles, we determine that metastable structures with partial or full oc…
Paired valence electrons forming covalent bonds in molecues are confined cooper pair correlations. High pressure dissociates molecules in solid H2S, SiH4, H2 etc. and form extended structures. However, valence electrons are resilient and continue to bond and sometimes resonate. It is suggested that some structures contain emergent Mott insulators (EMI) and support superconductivity and other phases, under special conditions. In pressurized solid H2S, we propose presence of a sublattice of relatively narrow, nearly half filled band of H atoms, trapped in ordered interstitials of colvalently bon…
We present first-principles calculations of metallic atomic hydrogen in the 400-600 GPa pressure range in a tetragonal structure with space group $I4_1/amd$, which is predicted to be its first atomic phase. Our calculations show a band structure close to the free-electron-like limit due to the high electronic kinetic energy induced by pressure. Bands are properly described even in the independent electron approximation fully neglecting the electron-electron interaction. Linear-response harmonic calculations show a dynamically stable phonon spectrum with marked Kohn anomalies. Even if the elect…
Unique superconductivity at surfaces/interfaces, as exemplified by LaAlO3/SrTiO3 interfaces, and the high transition temperature in ultrathin FeSe films, have triggered intense debates on how superconductivity is affected in atomic and electronic reconstructions. The surface of superconducting cubic spinel oxide LiTi2O4 is another interesting system because its inherent surface electronic and atomic reconstructions add complexity to superconducting properties. Investigations of such surfaces are hampered by the lack of single crystals or high-quality thin films. Here, using low-temperature sca…
Numerical studies of the two-dimensional d-p model using the Gutzwiller ansatz have exhibited the incommensurate antiferromagnetic state coexisting with superconductivity in the under- and lightly doped regions. Our results are based on the variational Monte Carlo method for the three-band Hubbard model with d and p orbitals. We obtained the finite superconducting condensation energy for the coexistent sate at the doping rate $x=1/8$, 1/12, and 1/16, up to the systems of 256 unit cells with 768 atoms (oxygen and copper atoms). The phase diagram for the hole-doped case is consistent with recent…
Combining experiments and ab initio models we report on $\rm SrPt_4Ge_{12}$ and $\rm BaPt_4Ge_{12}$ as members of a novel class of superconducting skutterudites, where Sr or Ba atoms stabilize a framework entirely formed by Ge-atoms. Below $T_c=5.35$ K, and 5.10 K for $\rm BaPt_4Ge_{12}$ and $\rm SrPt_4Ge_{12}$, respectively, electron-phonon coupled superconductivity emerges, ascribed to intrinsic features of the Pt-Ge framework, where Ge-$p$ states dominate the electronic structure at the Fermi energy.
The main purpose of the paper is to present an overview of the current situation in the development of understanding of the mechanism of high-Tc superconductivity which arises due to moderately strong, nonlinear electron-phonon interactions and due to magnetic (spin) fluctuations.
Magnetic atoms on heavy-element superconducting substrates are potential building blocks for realizing topological superconductivity in one- and two-dimensional atomic arrays. Their localized magnetic moments induce so-called Yu-Shiba-Rusinov (YSR) states inside the energy gap of the substrate. In the dilute limit, where the electronic states of the array atoms are only weakly coupled, proximity of the YSR states to the Fermi energy is essential for the formation of topological superconductivity in the band of YSR states. Here, we reveal via scanning tunnel spectroscopy and ab initio calculati…
The pairing and superfluid phenomena in a two-component ultracold atomic Fermi gas is an analogue of Cooper pairing and superconductivity in an electron system, in particular, the high $T_c$ superconductors. Owing to the various tunable parameters that have been made accessible experimentally in recent years, atomic Fermi gases can be explored as a prototype or quantum simulator of superconductors. It is hoped that, utilizing such an analogy, the study of atomic Fermi gases may shed light to the mysteries of high $T_c$ superconductivity. One obstacle to the ultimate understanding of high $T_c$…
A "super-atom" conceptual interface between chemistry and physics is proposed in order to assist in the search for higher TC superconductors. High-TC superconductivity HTSC is articulated as the entanglement of two disjoint electronic manifolds in the vicinity of a common Fermi energy. The resulting HTSC ground state couples near-degenerate protected local "super-atom" states to virtual magnons in an antiferromagnetic AFM embedding. The composite Cooper pairs emerge as the interaction particles for virtual magnons mediated "self-coherent entanglement" of super-atom states. A Hückel type resona…
