相关论文: Electronic Structure and Properties of SrAlGe and …

NaAlSi and NaAlGe are isostructural and isoelectronic semimetals with topological nodal lines close to the Fermi level. Despite having virtually identical electronic structures, NaAlSi exhibits superconductivity below Tc = 6.8 K, whereas…

Electronic structures of three superconducting rare-earth iron silicides (Lu;Y;Sc)2Fe3Si5 and non-superconducting Lu2Ru3Si5, adopting a tetragonal crystal structure (P4/mnc), have been calculated employing the full-potential local-orbital…

The hexagonal phase SrPtAs (s.g. P6/mmm; #194) with a honeycomb lattice structure very recently was declared as a new low-temperature (TC ~ 4.2K) superconductor. Here by means of first-principles calculations the optimized structural…

The layered structure of the iron based superconductors gives rise to a more or less pronounced two-dimensionality of their electronic structure, most pronounced in LaOFeAs. A consequence are distinct surface states to be expected to…

We report the electronic structure and related properties of the superconductor Ta2PdSe5 as determined from density functional calculations. The Fermi surface has two disconnected sheets, both derived from bands of primarily chalcogenide p…

The spatially-resolved laser-based high resolution angle resolved photoemission spectroscopy (ARPES) measurements have been performed on the optimally-doped HgBa$_2$Ca$_2$Cu$_3$O$_{8+\delta}$ (Hg1223) superconductor with a $T_c$ at 133 K.…

We report electronic structure calculations for BaTi$_2$Sb$_2$O and discuss the results in relation to the observed superconductivity of this material when hole doped with Na. The Fermi surface shows several sheets. These include a nested…

Band structures of pressure-induced CeNiGe3 and exotic BCS-like YNiGe3 superconductors have been calculated employing the full-potential local-orbital code. Both the local density approximation (LDA) and LDA+U treatment of the…

This review discusses and compares electronic spectra of new iron-based high-temperature superconductors (HTSC), as well as a number of chemically similar compounds. Particular attention is payed to iron chalcogenide K_{1-x}Fe_{2-y}Se_2,…

First principle FLAPW-GGA calculations have been performed with the purpose to understand the peculiarities of band structure and Fermi surface topology for recently discovered superconductor: Sr4V2Fe2As2O - in comparison with isostructural…

We have examined theoretically the electronic band structure and Fermi surface of tetragonal low-temperature superconductor Bi2Pd. Our main results are that (i) the Pd 4d and Bi 6p states determine the main peculiarities of the…

The electronic structure of Sb(110) is studied by angle-resolved photoemission spectroscopy and first-principle calculations, revealing several electronic surface states in the projected bulk band gaps around the Fermi energy. The…

Metal chalcogenide is a promising material for studying novel underlying physical phenomena and nanoelectronics applications. Here, we systematically investigate the crystal structure and electronic properties of the AlSe surface alloy on…

Semimetals, in which conduction and valence bands touch but do not form Fermi surfaces, have attracted considerable interest for their anomalous properties starting with the discovery of Dirac matter in graphene and other two-dimensional…

High resolution angle-resolved photoemission measurements have been carried out to study the electronic structure and superconducting gap of the (Tl$_{0.58}$Rb$_{0.42}$)Fe$_{1.72}$Se$_2$ superconductor with a T$_c$=32 K. The Fermi surface…

Recently, new FeAs based high-temperature superconductors CaAFe4As4 (A=K, Rb, Cs) with a layered tetragonal crystal structure were synthesized (TC ~ 30 K). In this Letter, we report for the first time the band structures, Fermi surface…

By means of the first-principles calculations, we have studied in details the structural, elastic and electronic properties of the new tetragonal CaBe2Ge2-type 5.2K superconductor SrPt2As2 in comparison with two hypothetical SrPt2As2…

The layered iron superconductors are discussed using electronic structure calculations. The four families of compounds discovered so far, including Fe(Se,Te) have closely related electronic structures. The Fermi surface consists of…

Iron-based superconductors, with the ThCr$_{2}$Si$_{2}$-type tetragonal structure (122 family), due to the iron arsenide/selenide layers exhibit several characteristic electronic properties. For example, multiband character mosty associated…

Superconductivity becomes more interesting when it encounters dimensional constraint or topology, because it is of importance for exploring exotic quantum phenomena or developing superconducting electronics. Here we report the coexistence…