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arXiv · 0804.4064

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

I. R Shein·V. L. Kozhevnikov·A. L. Ivanovskii
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Abstract

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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I. R Shein, V. L. Kozhevnikov, A. L. Ivanovskii. 2008-04-25. Structural, magnetic and electronic properties of quaternary oxybismuthides LaOMBi (where M = Sc, Ti ... Ni, Cu) - possible parent phases for new superconducting materials. https://arxiv.org/abs/0804.4064

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