Pair-checkerboard antiferromagnetic order in $\beta$-Fe${}_4$Se${}_5$ with $\sqrt{5}\times \sqrt{5}$ ordered Fe vacancies

Miao Gao, Xin Kong, Xun-Wang Yan +2

The electronic structure of recently discovered $\beta$-Fe${}_4$Se${}_5$ with $\sqrt{5}\times \sqrt{5}$ ordered Fe vacancies is calculated using first-principles density functional theory…