Electronic structure of the 344-type superconductors La3(Ni;Pd)4(Si;Ge)4 by ab initio calculations

JOURNAL OF ALLOYS AND COMPOUNDS

卷:546

Article

Winiarski, M. J.¹  Samsel-Czekala, M.¹ 

[1] Polish Acad Sci, Inst Low Temp & Struct Res, PL-50950 Wroclaw 2, Poland

关键词: Superconductors;    Intermetallics;    Rare earth alloys and compounds;    Transition metal alloys and compounds;    Electronic band structure;    Electron-phonon interactions;   

DOI  :  10.1016/j.jallcom.2012.08.074

来源: Elsevier

【 摘 要 】

Electronic structures of superconducting ternaries: La3Ni4Si4, La3Ni4Ge4, La3Pd4Si4, La3Pd4Ge4, and their non-superconducting counterpart, La3Rh4Ge4, have been calculated employing the full-potential local-orbital method within the density functional theory. Our investigations were focused particularly on densities of states (DOSs) at the Fermi level with respect to previous experimental heat capacity data, and Fermi surfaces (FSs) being very similar for all considered here compounds. In each of these systems, the FS originating from several bands contains both holelike and electronlike sheets possessing different dimensionality, in particular quasi-two-dimensional cylinders with nesting properties. A comparative analysis of the DOSs and FSs in these 344-type systems as well as in nickel (oxy)pnictide and borocarbide superconductors indicates rather similar phonon mechanism of their superconductivity. (C) 2012 Elsevier B.V. All rights reserved.

【 授权许可】

Free