Acta Physica Polonica. A, Vol. 130, no. 2 (2016), s. 655-658
Basing on the ab initio calculations performed within full potential local orbital minimum basis method, the
Mulliken occupation of the Sr 5s (n5s) and Ba 6p (n6p) states can serve as an indicator of transition to the superconducting
state in doped SrFe2As2 and BaFe2As2 compounds where the iron was substituted with cobalt or in the
pristine compounds under pressure. The estimated pressure, at which both compounds exhibit superconductivity
based on Sr 5s and Ba 6p occupation is in good agreement with the recently published experimental data.