2008/04/25 by I. R. Shein, Shein, I. R, V. L. Kozhevnikov +3
Chemistry · Materials Science · Physics and Astronomy · #FOS: Physical sciences #Inorganic Chemistry and Materials #Iron-based superconductors research #Materials Science (cond-mat.mtrl-sci) #Rare-earth and actinide compounds #Superconductivity (cond-mat.supr-con)
paper · pdf · doi:10.48550/arxiv.0804.4064
openalex publication_date 2008/04/25 · openalex created_date 2025/10/10 · openalex updated_date 2026/07/28
The extensive ab initio total energy calculations using the VASP-PAW method with the generalized gradient approximation (GGA) for the exchange-correlation potential are applied to systematic investigation of structural, electronic and magnetic properties in quaternary oxybismuthides LaOMBi (where M = Sc, Ti...Ni, Cu). The energy spectrum features similar to lanthanum-iron oxyarsenide LaOFeAs and non-magnetic ground state are indicative of superconductivity possible in lanthanum-nickel oxybismuthide LaONiBi.