vix.ing · top · new · best · stats

Elastic properties and chemical bonding in ternary arsenide SrFe2As2 and quaternary oxyarsenide LaFeAsO – Basic phases for new 38–55K superconductors from first principles

2008/07/22 by I. R. Shein, A. L. Ivanovskiĭ, A. L. Ivanovskii
Chemistry · Materials Science · Physics and Astronomy · #Inorganic Chemistry and Materials #Iron-based superconductors research #Superconductivity in MgB2 and Alloys #cond-mat.mtrl-sci #cond-mat.supr-con

paper · pdf · doi:10.1016/j.physc.2008.10.003

8 pages, 2 figures

arxiv created 2008/07/22 · openalex publication_date 2008/12/14 · arxiv updated 2009/12/01 · openalex created_date 2016/06/24 · openalex updated_date 2026/07/28

Abstract

We report the first-principle FLAPW-GGA calculations of the elastic properties of two related layered phases, namely, the ternary arsenide SrFe2As2 and the quaternary oxyarsenide LaFeAsO - basic phases for the newly discovered "122" and "1111" 38-55K superconductors. The independent elastic constants (Cij), bulk moduli, compressibility, and shear moduli are evaluated and discussed. The numerical estimates of the elastic parameters of the polycrystalline SrFe2As2 and LaFeAsO ceramics are performed for the first time. Additionally, the peculiarities of chemical bonding in these phases are discussed.

Citations