Bi-collinear antiferromagnetic order in the tetragonal $\alpha$-FeTe

Abstract

By the first-principles electronic structure calculations, we find that the ground state of PbO-type tetragonal $\alpha$-FeTe is in a bi-collinear antiferromagnetic state, in which the Fe local moments ($\sim 2.5{\mu }_B$) are ordered ferromagnetically along a diagonal direction and antiferromagnetically along the other diagonal direction on the Fe square lattice. This bi-collinear order results from the interplay among the nearest, next nearest, and next next nearest neighbor superexchange interactions $J_1$, $J_2$, and $J_3$, mediated by Te $5p$-band. In contrast, the ground state of $\alpha$-FeSe is in the collinear antiferromagnetic order, similar as in LaFeAsO and BaFe${}_2$As${}_2$.

5 pages and 5 figures

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Cited by in corpus (3)

• Fermi surface topology and low-lying quasiparticle dynamics of parent Fe${}_{1+x}$Te/Se Superconductor by orbital-polarization resolved ARPES
• Short-range incommensurate magnetic order near the superconducting phase boundary in Fe(1+d)Te(1-x)Se(x)
• Microscopic origin of pressure-induced phase transitions in iron-pnictide $AF{e}_{2}A{s}_2$ superconductors: an {ab initio} molecular-dynamics study