Superconductivity in Lithium- and Sodium-Doped Mercury-Based Cuprates

The effect of Na- and Li-doping in Hg-based cuprates has been studied. It has been found that superconductivity can be achieved in samples containing small amount of Na or Li. While little change is found in the crystalline structure, the formed superconducting phase have the onset T_c typically above 140 K and zero-resistance T_c up to 136K. More interestingly, the processing temperature for the doped Hg-1223 can be reduced significantly to near 700 °C which is promising for thin films growth on many technologically compatible substrates.     

Density of Carier in YBCO Superconductors with (Ca,Th) Doping

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Hole pockets in the doped 2D Hubbard model

The electronic momentum distribution n(k) of the two dimensional Hubbard model is studied for different values of the coupling U/t, electronic density n , and temperature, using quantum Monte Carlo techniques. A detailed analysis of the data on 8 × 8 clusters shows that features consistent with hole pockets at momenta k=(±/2,±/2,) appear as the system is doped away from half-filling. Our results are consistent with recent experimental data for the cuprates discussed by Aebi et al. (Phys. Rev. Lett.72, 2757 (1994)). In the range of couplings studied, the depth of the pockets is maximum at n approximately 0.9, and it increases with decreasing temperature. The apparent absence of hole pockets in previous numerical studies of this model is explained.     

Charge-transfer in YBa2Cu3Ox

The charge-transfer hypothesis is shown to be inconsistent with data for YBa₂Cu₃O_x: (i) The two-step behavior ofT _c(x) (with jumps from zero to 60 K and then to 90 K) is not reflected as a similar, statistically significant two-step behavior in the bond-valence-sum charge of cuprate-plane Cu ions (as once believed), (ii) as a consequence of the law of conservation of charge, the derivatives of the layer charges with respect to oxygen contentx for both the Ba-O layers and the charge-reservoir Cu-O chains have the opposite signs to those predicted, and (iii) the charge-transfer observed for superconducting YBa₂Cu₃O_x is not sufficient to produce superconductivity, as demonstrated by insulating PrBa₂Cu₃O_x, which has virtually the same layer charges.     

EPW: A program for calculating the electron–phonon coupling using maximally localized Wannier functions

EPW (Electron–Phonon coupling using Wannier functions) is a program written in Fortran90 for calculating the electron–phonon coupling in periodic systems using density-functional perturbation theory and maximally localized Wannier functions. EPW can calculate electron–phonon interaction self-energies, electron–phonon spectral functions, and total as well as mode-resolved electron–phonon coupling strengths. The calculation of the electron–phonon coupling requires a very accurate sampling of electron–phonon scattering processes throughout the Brillouin zone, hence reliable calculations can be prohibitively time-consuming. EPW combines the Kohn–Sham electronic eigenstates and the vibrational eigenmodes provided by the Quantum ESPRESSO package (see Giannozzi et al., 2009 [1]) with the maximally localized Wannier functions provided by the wannier90 package (see Mostofi et al., 2008 [2]) in order to generate electron–phonon matrix elements on arbitrarily dense Brillouin zone grids using a generalized Fourier interpolation. This feature of EPW leads to fast and accurate calculations of the electron–phonon coupling, and enables the study of the electron–phonon coupling in large and complex systems.

Program summary

Program title: EPWCatalogue identifier: AEHA_v1_0Program summary URL:http://cpc.cs.qub.ac.uk/summaries/AEHA_v1_0.htmlProgram obtainable from: CPC Program Library, Queen's University, Belfast, N. IrelandLicensing provisions: GNU Public LicenseNo. of lines in distributed program, including test data, etc.: 304 443No. of bytes in distributed program, including test data, etc.: 1 487 466Distribution format: tar.gzProgramming language: Fortran 90Computer: Any architecture with a Fortran 90 compilerOperating system: Any environment with a Fortran 90 compilerHas the code been vectorized or parallelized?: Yes, optimized for 1 to 64 processorsRAM: Heavily system dependent, as small as a few MBSupplementary material: A copy of the “EPW/examples” directory containing the phonon binary files can be downloadedClassification: 7External routines: MPI, Quantum-ESPRESSO package [1], BLAS, LAPACK, FFTW. (The necessary Blas, Lapack and FFTW routines are included in the Quantum-ESPRESSO package [1].)Nature of problem: The calculation of the electron–phonon coupling from first-principles requires a very accurate sampling of electron–phonon scattering processes throughout the Brillouin zone; hence reliable calculations can be prohibitively timeconsuming.Solution method: EPW makes use of a real-space formulation and combines the Kohn–Sham electronic eigenstates and the vibrational eigenmodes provided by the Quantum-ESPRESSO package with the maximally localized Wannier functions provided by the wannier90 package in order to generate electron–phonon matrix elements on arbitrarily dense Brillouin zone grids using a generalized Fourier interpolation.Running time: Single processor examples typically take 5–10 minutes.References:

• [1] 

  P. Giannozzi, et al., J. Phys. Condens. Matter 21 (2009), 395502, http://www.quantum-espresso.org/.

     

Antiferromagnetic,Neutral, and Superconducting Band in La<Subscript>2</Subscript>CuO<Subscript>4</Subscript>

The symmetry of the Bloch functions in the conduction band of tetragonal and orthorhombic La₂CuO₄ is examined for the existence of symmetry-adapted and optimally localizable (usual or spin-dependent) Wannier functions. It turns out that such Wannier functions do not exist in the tetragonal phase. In the orthorhombic phase, on the other hand, the Bloch functions can be unitarily transformed in three different ways into optimally localizable Wannier functions: they can be chosen to be adapted to each of the three phases observed in the pure or doped material, that is, to the antiferromagnetic phase, to the superconducting phase or to the phase evincing neither magnetism nor superconductivity. This group-theoretical result is proposed to be interpreted within a nonadiabatic extension of the Heisenberg model. Within this model, atomic-like states represented by these Wannier functions are responsible for the stability of each of the three phases. However, all the three atomic-like states cannot exist in the tetragonal phase, but are stabilized by the orthorhombic distortion of the crystal. A simple model is proposed which may explain the physical properties of La_2−x Sr _x CuO₄ as a function of the Sr concentrationx.     

高温超导变压器

高温超导变压器与常规变压器相比 ,具有体积小、重量轻、效率高、无火灾隐患、不污染环境和限制短路电流改善系统动态稳定性等诸多优点。阐述了欧洲、美国及日本等国家的高温超导变压器的研究现状、基本特点、优越性及研究中存在的技术问题等。并且讨论了高温超导变压器的设计原则和将来其投入电力系统运行时所需要进一步考虑的问题