First-principles study of FeSe epitaxial films on SrTiO<sub>3</sub><xref ref-type="fn" rid="cpb151797fn1">*</xref>

First-principles study of FeSe epitaxial films on SrTiO₃*

Liu Kai^a), Gao Miao^b), Lu Zhong-Yi^a), Xiang Tao^b)

Total energies of collinear and pair-checkerboard AFM orders versus the in-plane lattice constant for bulk FeSe. The unit cells for these two AFM ordered states are and , respectively. The optimal in-plane lattice constants are marked by the black and red dashed lines for the collinear and pair-checkerboard AFM states, respectively.