Abstract
A recently synthesized material GdTe3 has shown very interesting properties like superconductivity and high carrier mobility in its bulk and flake form. Here, we have shown the formation of a monolayer of GdTe3 from its bulk parent material by means of exfoliation. We have also studied magnetic ground state and electronic properties of bulk and two-dimensional (2D) GdTe3, using ab initio calculations. We find both of them to have the same anti-ferromagnetic spin arrangement in their ground state. Our calculations further reveal that both bulk and 2D-GdTe3 are metallic, mainly because of the electronic contribution arising from the Te-atoms. The magnetic ground state does not change on the inclusion of the Hubbard-U parameter, calculated self-consistently to have a value of 5.7 eV for the Gd-f electrons. The spin–orbit coupling (SOC) calculations in 2D-GdTe3, for both U = 0 and 5.7 eV, show that the system prefers an in-plane anti-ferromagnetic ordering and has an easy magnetization axis along the crystallographic a-direction.
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