Reconstruction of the conduction band in metallic hydrogen sulfide

The theory of the normal properties of a metal generalized to the case of particular properties of an electron band with a finite width for electron–phonon systems with a varying electron density of states has been used to study the normal state of the SH₃ phase of hydrogen sulfide at a pressure of 225 GPa and a temperature of 200 K. The frequency dependences of the real, ReΣ(ω), and imaginary, ImΣ(ω), parts of the selfenergy part of the Green’s function of the electron Σ(ω), as well as the electron density of states N(ε) of the Im–3m stable orthorhombic structure of SH₃ hydrogen sulfide at a pressure of P = 225 GPa, which is renormalized by the strong electron–phonon coupling, have been calculated. It has been established that a part of the electron conduction band of the SH₃ phase of hydrogen sulfide adjacent to the Fermi level undergoes renormalization-induced reconstruction in the form of a number of energy pockets with the widths equal to fractions of the characteristic phonon energies of the system.     

Critical temperature of metallic hydrogen sulfide at 225-GPa pressure

The Eliashberg theory generalized for electron—phonon systems with a nonconstant density of electron states and with allowance made for the frequency behavior of the electron mass and chemical potential renormalizations is used to study T _c in the SH₃ phase of hydrogen sulfide under pressure. The phonon contribution to the anomalous electron Green’s function is considered. The pairing within the total width of the electron band and not only in a narrow layer near the Fermi surface is taken into account. The frequency and temperature dependences of the complex mass renormalization ReZ(ω), the density of states N(ε) renormalized by the electron—phonon interactions, and the electron—phonon spectral function obtained computationally are used to calculate the anomalous electron Green’s function. A generalized Eliashberg equation with a variable density of electron states has been solved. The frequency dependence of the real and imaginary parts of the order parameter in the SH₃ phase has been obtained. The value of T _c ≈ 177 K in the SH₃ phase of hydrogen sulfide at pressure P = 225 GPa has been determined by solving the system of Eliashberg equations.     

Ab initio study of the (2 × 2) phase of barium on graphene

We present a first-principles density functional theory study on the structural, electronic and dynamical properties of a novel barium doped graphene phase. Low energy electron diffraction of barium doped graphene presents clear evidence of (2 × 2) spots induced by barium adatoms with BaC₈ stoichiometry. First principles calculations reveals that the phase is thermodynamically stable but unstable to segregation towards the competitive BaC₆ monolayer phase. The calculation of phonon spectrum confirms the dynamical stability of the BaC₈ phase indicating its metastability, probably stabilized by doping and strain conditions due to the substrate. Barium induces a relevant doping of the graphene π states and new barium-derived hole Fermi surface at the M-point of the (2 × 2) Brillouin zone. In view of possible superconducting phase induced by foreign dopants in graphene, we studied the electron–phonon coupling of this novel (2 × 2) obtaining λ = 0.26, which excludes the stabilization of a superconducting phase.     

Superconductivity of proximity coupled superconductor-antiferromagnetic multilayers

Nucleation of superconducting phase in proximity coupled superconductor(SC)-antiferromagnetic(AF) multilayers is studied theoretically. For SC layer we use the usual Usadel equations. As an AF layer we consider a normal metal which undergos the magnetic phase transition associated with the nesting electron and hole Fermi surfaces. The basic formalism, suitable for study of the SC phase of the SC/AF system is presented. The superconducting transition temperature,T _c , and upper critical fields,H _c2‖ (T) andH _c2⊥ (T) have been calculated.     

Low-temperature thermal conductivity of tellurium-doped bismuth

Phonon thermal conductivities κ₂₂ (?T ‖ C1) and κ₃₃ (? T ‖ C₃) of tellurium-doped bismuth with an electron concentration in the range 1.8 × 10¹⁹ ≤ n_L ≤ 1.4 × 10²⁰ cm^?3 were studied in the temperature interval 2 < T < 300 K. The temperature dependence of the phonon thermal conductivity obtained on doped bismuth samples of both orientations exhibits two maxima, one at a low temperature and the other at a high temperature. The effect of various phonon relaxation mechanisms on the dependence of both phonon thermal conductivity maxima on temperature, impurity concentration, and electron density is studied.     

Unconventional superconductivity in low density electron systems and conventional superconductivity in hydrogen metallic alloys

In this short review, we first discuss the results, which are mainly devoted to the generalizations of the famous Kohn–Luttinger mechanism of superconductivity in purely repulsive fermion systems at low electron densities. In the context of repulsive-U Hubbard model and Shubin–Vonsovsky model we consider briefly the superconducting phase diagrams and the symmetries of the order parameter in novel strongly correlated electron systems including idealized monolayer and bilayer graphene. We stress that purely repulsive fermion systems are mainly the subject of unconventional low-temperature superconductivity. To get the high temperature superconductivity in cuprates (with T_C of the order of 100 K) we should proceed to the t–J model with the van der Waals interaction potential and the competition between short-range repulsion and long-range attraction. Finally we note that to describe superconductivity in metallic hydrogen alloys under pressure (with T_C of the order of 200 K) it is reasonable to reexamine more conventional mechanisms connected with electron–phonon interaction. These mechanisms arise in the attractive-U Hubbard model with static onsite or intersite attractive potential or in more realistic theories (which include retardation effects) such as Migdal–Eliashberg strong coupling theory or even Fermi–Bose mixture theory of Ranninger et al. and its generalizations.     

Phase diagram and transport properties of Sb-doped Ca0.88La0.12Fe2As2 single crystals

The effects of isovalent Sb substitution on the superconducting properties of the Ca_0.88La_0.12Fe₂(As_1-ySb_y)₂ system have been studied through electrical resistivity measurements. It is seen that the antiferromagnetic or structural transition is suppressed with Sb content, and a high-T_c superconducting phase, accompanied by a low-T_c phase, emerges at 0.02 ≤ y ≤ 0.06. In this intermediate-doping regime, normal-state transport shows non-Fermi-liquid-like behaviors with nearly T-linear resistivity above the high-T_c phase. With further Sb doping, this high-T_c phase abruptly vanishes for y > 0.06 and the conventional Fermi liquid is restored, while the low-T_c phase remains robust against Sb impurities. The coincidence of the high-T_c phase and non-Fermi liquid transport behaviors in the intermediate Sb-doping regime suggests that AFM fluctuations play an important role in the observed non-Fermi liquid behaviors, which may be intimately related to the unusual nonbulk high-T_c phase in this system.     

Penetration of a magnetic field into the YBa<Subscript>2</Subscript>Cu<Subscript>3</Subscript>O<Subscript>7−δ</Subscript> high-temperature superconductor: Magnetoresistance in weak magnetic fields

The penetration of a magnetic field into superconducting grains and weak links of YBa₂Cu₃O_7?δ ceramic high-temperature superconductors is investigated using measurements of the transverse and longitudinal magnetoresistances at T=77.3 K and 0≤H≤～500 Oe as a function of the transport current in the range ～0.01≤I/I _c ≤～0.99. The effects associated with the complete penetration of Josephson vortices into weak links of the high-temperature superconductor in magnetic fields H_c2J, the onset of penetration of Abrikosov vortices into superconducting grains in magnetic fields H_c1A, and the first-order transition from the Bragg glass phase to the vortex glass phase in fields H_BG-VG are revealed and interpreted. The I-H phase diagrams YBa₂Cu₃O_7?δ high-temperature superconductors are constructed for I ⊥ H and I ‖ H.     

Mechanical and Dynamic Stability of Complete and Nonstoichiometric 3<Emphasis Type="Italic">C</Emphasis>-Si<Subscript><Emphasis Type="Italic">x</Emphasis></Subscript>C<Subscript><Emphasis Type="Italic">y</Emphasis></Subscript> from Ab Initio Calculations

The energies of formation of vacancies in the carbon and silicon sublattices, the independent elastic constants, the all-round compression, shear and Young’s moduli, and the anisotropy coefficients are determined for the complete and nonstoichiometric cubic phases of 3C-Si_xC_y (x, y = 1.0–0.75) by ab initio methods of the band theory. In the formalism of the density functional perturbation theory (DFPT), the phonon dispersion dependences are obtained for these phases (the comparison with the experiment is given for the complete phase). It is shown that the mechanical characteristics of the phases become strongly anisotropic upon the transition from 3C-SiC_0.875 to 3C-SiC_0.75. It is established from the analysis of the phonon dispersion curves that the 3C-SiC_0.875 and 3C-SiC_0.75 phases, in contrast to the complete 3C-SiC phase, are dynamically unstable at T = 0 K.     

Effect of incommensurate potential on the resonant tunneling through Majorana bound states on the topological superconductor chains

We study the transport through the Kitaev chain with incommensurate potentials coupled to two normal leads by the numerical operator method. We find a quantized linear conductance of e ² / h, which is independent to the disorder strength and the gate voltage in a wide range, signaling the Majorana bound states. While the incommensurate potential suppresses the current at finite voltage bias, and then narrows the linear response regime of the I-V curve which exhibits two plateaus corresponding to the superconducting gap and the band edge, respectively. The linear conductance abruptly drops to zero as the disorder strength reaches the critical value 2g _s + 2Δ with Δ the p-wave pairing amplitude and g _s the hopping between neighbor sites, corresponding to the transition from the topological superconducting phase to the Anderson localized phase. Changing the gate voltage also causes an abrupt drop of the linear conductance by driving the chain into the topologically trivial superconducting phase, whose I-V curve exhibits an exponential shape.     

Manifestation of pseudogap features in structurally inhomogeneous optimally doped HTSC YBa<Subscript>2</Subscript>Cu<Subscript>3</Subscript>O<Subscript>6.92</Subscript>

Magnetization M(H,T) in magnetic fields H up to 90 kOe and at temperatures 2 K ≤ T < T _c (where Tc is the superconducting transition temperature), along with magnetic susceptibility χ(T) in the normal state T _c < T < 400 K for optimally oxygen-doped samples of YBa₂Cu₃O_6.92 with varying degrees of defects in the crystal structure, are studied to determine the influence of structural inhomogeneity on the electron systems characteristics of cuprate superconductors. It is shown that the existence of structural inhomogeneity of samples leads to the manifestation of peculiarities appropriate to pseudogap regime in their properties.     

Superconductivity and metal-insulator transition in Cu(Ir<Subscript>1−<Emphasis Type="Italic">x</Emphasis></Subscript>Rh<Subscript><Emphasis Type="Italic">x</Emphasis></Subscript>)<Subscript>2</Subscript>S<Subscript>4</Subscript>

A new thiospinel CuIr₂S₄ exhibits a metal-insulator (M-I) transition at 226 K, while CuRh₂S₄ shows a superconducting transition at 4.70 K. We present a systematic study of electrical and magnetic properties of Cu(Ir_1?x Rh _x )₂S₄. TheM-I transition of CuIr₂S₄ is accompanied by a structural phase transition from tetragonal symmetry in insulating phase to cubic symmetry in high temperature metallic phase. With increasing Rh contentx, the sharpM-I transition shifts to lower temperature forx≦0.10. The samples show semiconductive behavior for 0.10≦0.30 between 4.2 and 300 K, and recover the metallic state forx≧0.50. The superconducting transition may occur for very close tox=1.00. Magnetic susceptibility shows the jump at theM-I transition temperature and the variation ofx leads to a systematic change of the magnetic susceptibilities, which is consistent with the electrical characteristic feature.     

Study of supersolidity in the two-dimensional Hubbard–Holstein model

We derive an effective Hamiltonian for the two-dimensional Hubbard–Holstein model in the regimes of strong electron–electron and strong electron–phonon interactions by using a nonperturbative approach. In the parameter region where the system manifests the existence of a correlated singlet phase, the effective Hamiltonian transforms to a t₁ ? V ₁ ? V ₂ ? V ₃ Hamiltonian for hard-core-bosons on a checkerboard lattice. We employ quantum Monte Carlo simulations, involving stochastic-series-expansion technique, to obtain the ground state phase diagram. At filling 1∕8, as the strength of off-site repulsion increases, the system undergoes a first-order transition from a superfluid to a diagonal striped solid with ordering wavevector \(\vec{Q}\) = (π∕4, 3π∕4) or (π∕4, 5π∕4). Unlike the one-dimensional situation, our results in the two-dimensional case reveal a supersolid phase (corresponding to the diagonal striped solid) around filling 1∕8 and at large off-site repulsions. Furthermore, for small off-site repulsions, we witness a valence bond solid at one-fourth filling and tiny phase-separated regions at slightly higher fillings.     

New superconductor with a layered crystal structure: Nickel oxybismuthide LaO<Subscript>1−δ</Subscript>NiBi

The results of synthesizing a new layered phase—nickel oxybismuthide LaO_1?δNiBi in a series of superconducting oxypnictides—and its properties in the superconducting and normal states are reported. Although the temperature of the transition of this phase to the superconducting state, T _c ～ 4 K, is much lower than the value T _c = 55 K reached at present in oxyarsenide SmO_1?δFeAs, the similarity of the crystal structures and ρ(T) dependencies indicates that the mechanism responsible for the appearance of the semiconducting state is the same in lanthane oxybismuthide and samarium oxyarsenide.     

Microstructure and superconducting properties of the DyBaCuO ceramic doped with Na<Subscript>2</Subscript>CO<Subscript>3</Subscript>, NaCl,and KClO<Subscript>3</Subscript>

This paper reports on a study of the effect of doping with Na₂CO₃, NaCl, and KClO₃ salts on the microstructure and superconducting characteristics of ceramics with nominal compositions Dy_{1 ? x} M _x Ba₂Cu_{3 ? y} O_{7 ? δ} and DyBa₂Cu_{3 ? y} O_{7 ? δ} : M _x for M = Na, K; x = 0.2, 0.3, and y = 0, 0.2. The microstructure was characterized by transmission electron microscopy with local energy-dispersive x-ray in situ analysis (probe size ～1 nm). An analysis shows that none of the doping elements (Na, K, or Cl) enters into 123 grains in sizable amounts and that, as a result, the critical temperature of the superconducting transition remains practically constant in the range 90.0–93.5 K. Potassium and chlorine segregate at grain boundaries. It is shown that grain-boundary segregation of chlorine leads to a substantial increase in the superconducting critical current (by a factor 3–5 at 70 K) as compared to the undoped sample. The possible mechanisms accounting for the effect of Cl on intergrain critical current are discussed.     

Development of the method for low-temperature investigations of HTSC systems on an X-ray electron magnetic spectrometer

Peculiarities of the chemical structure of bulk polycrystalline samples of the high-temperature superconductors Bi₂Sr₂CaCu₂O₈, BiSrCaCu₂O_5.5, BiSrCaCu₃O₈, and YBa₂Cu₃O_{7 ? δ} have been investigated in detail at room and superconducting temperatures on an X-ray electron magnetic spectrometer equipped with an attachment for low-temperature studies. It is shown that covalent bonding is formed at a superconducting temperature between copper and oxygen due to Cu²⁺ ions. Due to the enhancement of the d(Cu)–p(O) hybridization of copper and oxygen electrons in the superconducting state, the d-electron density increases near E _F. The occurrence of additional peaks in the O1s and Sr3d (Ba3d) spectra after transition of the system to the superconducting state indicates changes in the nearest environment of O and Sr (Ba) atoms, in particular, the transition of Sr atoms to a higher oxidation state.     

Effect of high pressure on the electron-phonon interaction and superconductivity in ZrN and HfN

Ab initio calculations of the superconducting properties have been performed for zirconium and hafnium nitrides at normal and high pressures. The results for ZrN are in good agreement with the existing data of the tunnel experiments and measurements of the pressure derivative of the critical temperature T _c. It has been shown that the decrease in T _c under compression occurs due primarily to an increase in the phonon frequencies.     

Metal-insulator transition in Fe<Subscript><Emphasis Type="Italic">x</Emphasis></Subscript>Mn<Subscript>1−<Emphasis Type="Italic">x</Emphasis></Subscript>S crystals

Results of an experimental study of MnS, FeS, and Fe _x Mn_1?x S single crystals are presented. The phase composition, the lattice parameters, and the state of paramagnetic ions in Fe _x Mn_1?x S have been determined by x-ray diffraction analysis and Mössbauer spectroscopy. A sequence of transitions have been found in iron manganese sulfide with x = 0.29 at temperatures T ₁ ≈ 25–50 K, T ₂ ≈ 125 K, and T ₃ ≈ 190 K with a change in kinetic properties and the formation of a metallic state at low temperatures T ≈ 2 K. The possibility of a Mott-Hubbard transition in Fe _x Mn_1?x S sulfides with variation of the composition and the temperature is discussed.     

A brief review on <Emphasis Type="Italic">μ</Emphasis>SR studies of unconventional Fe- and Cr-based superconductors

Muon spin relaxation/rotation (μSR) is a vital technique for probing the superconducting gap structure, pairing symmetry and time reversal symmetry breaking, enabling an understanding of the mechanisms behind the unconventional superconductivity of cuprates and Fe-based high-temperature superconductors, which remain a puzzle. Very recently double layered Fe-based super- conductors having quasi-2D crystal structures and Cr-based superconductors with a quasi-1D structure have drawn considerable attention. Here we present a brief review of the characteristics of a few selected Fe- and Cr-based superconducting materials and highlight some of the major outstanding problems, with an emphasis on the superconducting pairing symmetries of these materials. We focus on μSR studies of the newly discovered superconductors ACa₂Fe₄As₄F₂ (A = K, Rb, and Cs), ThFeAsN, and A₂Cr₃As₃ (A = K, Cs), which were used to determine the superconducting gap structures, the presence of spin fluctuations, and to search for time reversal symmetry breaking in the superconducting states. We also briefly discuss the results of μSR investigations of the superconductivity in hole and electron doped BaFe₂As₂.     

Stable structure of metallic hydrogen at a pressure of 500 GPa

The structural, electron, phonon, and other characteristics of the metallic normal phase of hydrogen at a pressure of 500 GPa are calculated by an ab initio mathematical simulation. It is shown that metallic hydrogen having a lattice with the I41/amd symmetry is a stable phase at a high hydrostatic compression pressure. The resulting structure has the spectrum of phonons stable with respect to the decay.