New ternary ThCr2Si2-type iron-selenide superconducting materials: synthesis, properties and simulations

Very recently (November, 2010, PRB, 82, 180520R), the first ThCr2Si2-type ternary superconductor K0.8Fe2Se2 with enhanced TC ~ 31 K has been discovered. This finding has stimulated much activity in search for related materials and triggered intense studies of their properties. Indeed, very soon superconductivity (TC ~ 28-32 K) was also found in the series of related ternary systems (so-called 122 phases) such as CsxFe2-ySe2, RbxFe2-ySe2, (TlK)xFeySe2, (TlRb)xFeySe2 etc., which formed a new group of superconducting iron-based materials without toxic As. In this paper the recent progress in synthesis of 122-like iron-selenide systems and in experimental research of their properties is reviewed. Available theoretical data on electronic, magnetic, and elastic properties of this newest group of superconducting materials are also discussed.Comment: 44 pages, 27 figure

BN domains included into carbon nanotubes: role of interface

We present a density functional theory study on the shape and arrangement of small BN domains embedded into single-walled carbon nanotubes. We show a strong tendency for the BN hexagons formation at the simultaneous inclusion of B and N atoms within the walls of carbon nanotubes. The work emphasizes the importance of a correct description of the BN-C frontier. We suggest that BN-C interface will be formed preferentially with the participation of N-C bonds. Thus, we propose a new way of stabilizing the small BN inclusions through the formation of nitrogen terminated borders. The comparison between the obtained results and the available experimental data on formation of BN plackets within the single walled carbon nanotubes is presented. The mirror situation of inclusion of carbon plackets within single walled BN nanotubes is considered within the proposed formalism. Finally, we show that the inclusion of small BN plackets inside the CNTs strongly affects the electronic character of the initial systems, opening a band gap. The nitrogen excess in the BN plackets introduces donor states in the band gap and it might thus result in a promising way for n-doping single walled carbon nanotubes

Structural, Magnetic and Electronic Properties of the Iron-Chalcogenide Ax_xFe2−y_{2-y}Se2_2 (A=K, Cs, Rb, Tl and etc.) Superconductors

The latest discovery of a new iron-chalcogenide superconductor A$_x$Fe$_{2-y}$Se$_2$(A=K, Cs, Rb, Tl and etc.) has attracted much attention due to a number of its unique characteristics, such as the possible insulating state of the parent compound, the existence of Fe-vacancy and its ordering, a new form of magnetic structure and its interplay with superconductivity, and the peculiar electronic structures that are distinct from other Fe-based superconductors. In this paper, we present a brief review on the structural, magnetic and electronic properties of this new superconductor, with an emphasis on the electronic structure and superconducting gap. Issues and future perspectives are discussed at the end of the paper.Comment: 45 pages, 19 figure