Structural, magnetic and electronic properties of quaternary oxybismuthides LaOMBi (where M = Sc, Ti ... Ni, Cu) - possible parent phases for new superconducting materials

Details Structural, magnetic and electronic properties of quaternary oxybismuthides LaOMBi (where M = Sc, Ti ... Ni, Cu) - possible parent phases for new superconducting materials Structural, magnetic and electronic properties of quaternary oxybismuthides LaOMBi (where M = Sc, Ti ... Ni, Cu) - possible parent phases for new superconducting materials

2008-04-25

arxiv.org/abs/0804.4064v1

Physics

Condensed Matter

Superconductivity

10 pages,3 figures

Scientific paper

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.

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